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| <!-- To obtain a blank version of this page, type subst:chembox supplement inside of double curly braces, {{}}, and save the page -->
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| This page provides supplementary chemical data on [[hexane|''n''-hexane]]. <!-- replace with proper wikilink -->
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| == Material Safety Data Sheet == <!-- KEEP this header, it is linked to from the infobox on the main article page -->
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| The handling of this chemical may incur notable safety precautions. It is highly recommend that you seek the Material Safety Datasheet ([[Material safety data sheet|MSDS]]) for this chemical from a reliable source and follow its directions.
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| *[http://www.siri.org/msds/index.php SIRI]
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| *[http://www.sciencestuff.com/msds/C1803.html Science Stuff]
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| *[https://fscimage.fishersci.com/msds/00731.htm Fisher Scientific].
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| == Structure and properties == <!-- KEEP this header, it is linked to from the infobox on the main article page -->
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| {| border="1" cellspacing="0" cellpadding="3" style="margin: 0 0 0 0.5em; background: #FFFFFF; border-collapse: collapse; border-color: #C0C090;"
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| ! {{chembox header}} | Structure and properties
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| |-
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| | [[Index of refraction]], ''n''<sub>D</sub>
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| | 1.3727 at 20°C <!-- Please omit if not applicable -->
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| |-
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| | [[Abbe number]]
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| |? <!-- Please omit if not applicable -->
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| |-
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| | [[Dielectric constant]], ε<sub>r</sub>
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| | 1.890 ε<sub>0</sub> at 20 °C <!-- Please omit if not applicable -->
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| |-
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| | [[Bond strength]]
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| | ? <!-- Specify which bond. Please omit if not applicable -->
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| |-
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| | [[Bond length]]
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| | ? <!-- Specify which bond. Please omit if not applicable -->
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| |-
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| | [[Bond angle]]
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| | ? <!-- Specify which angle, e.g. Cl-P-O. Please omit if not applicable -->
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| |-
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| | [[Magnetic susceptibility]]
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| | ? <!-- Please omit if not applicable -->
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| |-
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| | [[Surface tension]]<ref>''Lange's Handbook of Chemistry'', 10th ed, pp 1661-1663</ref>
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| | 20.5 dyn/cm at 0°C<br>18.4 dyn/cm at 20°C<br>13.4 dyn/cm at 68°C
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| | [[Viscosity]]<ref>''Lange's Handbook of Chemistry'', 10th ed, pp 1669-1674</ref>
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| | 0.4012 mPa·s at 0°C<br>0.3258 mPa·s at 20°C<br>0.2798 mPa·s at 40°C<br>0.2288 mPa·s at 80°C
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| |-
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| |}
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| == Thermodynamic properties == <!-- KEEP this header, it is linked to from the infobox on the main article page -->
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| {| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: #FFFFFF; border-collapse: collapse; border-color: #C0C090;"
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| ! {{chembox header}} | Phase behavior
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| |-
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| | [[Triple point]]
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| | 178.0 K (–95.1 °C), 1.23 Pa
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| |-
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| | [[Critical point (chemistry)|Critical point]]
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| | 507.6 K (234.5 °C), 3020 kPa
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| |-
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| | [[Standard enthalpy change of fusion|Std enthalpy change<br/>of fusion]], Δ<sub>fus</sub>''H''<sup><s>o</s></sup>
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| | 13 kJ/mol
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| |-
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| | [[Standard entropy change of fusion|Std entropy change<br/>of fusion]], Δ<sub>fus</sub>''S''<sup><s>o</s></sup>
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| | 70 J/(mol·K)
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| |-
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| | [[Standard enthalpy change of vaporization|Std enthalpy change<br/>of vaporization]], Δ<sub>vap</sub>''H''<sup><s>o</s></sup>
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| | 28.85 kJ/mol at 68.8°C
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| |-
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| | [[Standard entropy change of vaporization|Std entropy change<br/>of vaporization]], Δ<sub>vap</sub>''S''<sup><s>o</s></sup>
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| | ? J/(mol·K)
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| |-
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| ! {{chembox header}} | Solid properties
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| | [[Standard enthalpy change of formation|Std enthalpy change<br/>of formation]], Δ<sub>f</sub>''H''<sup><s>o</s></sup><sub>solid</sub>
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| | ? kJ/mol
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| |-
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| | [[Standard molar entropy]],<br/>''S''<sup><s>o</s></sup><sub>solid</sub>
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| | ? J/(mol K)
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| |-
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| | [[Heat capacity]], ''c<sub>p</sub>''
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| | ? J/(mol K)
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| ! {{chembox header}} | Liquid properties
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| | [[Standard enthalpy change of formation|Std enthalpy change<br/>of formation]], Δ<sub>f</sub>''H''<sup><s>o</s></sup><sub>liquid</sub>
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| | –198.7 kJ/mol
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| |-
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| | [[Standard molar entropy]],<br/>''S''<sup><s>o</s></sup><sub>liquid</sub>
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| | 295 J/(mol K)
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| |-
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| | [[Enthalpy of combustion]], Δ<sub>c</sub>''H''<sup><s>o</s></sup>
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| | –4163 kJ/mol
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| |-
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| | [[Heat capacity]], ''c<sub>p</sub>''
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| | 197.66 J/(mol K)
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| ! {{chembox header}} | Gas properties
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| | [[Standard enthalpy change of formation|Std enthalpy change<br/>of formation]], Δ<sub>f</sub>''H''<sup><s>o</s></sup><sub>gas</sub>
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| | –167.2 kJ/mol
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| |-
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| | [[Standard molar entropy]],<br/>''S''<sup><s>o</s></sup><sub>gas</sub>
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| | 388.82 J/(mol K)
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| | [[Heat capacity]], ''c<sub>p</sub>''
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| | 142.6 J/(mol K) at 25°C
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| | [[van der Waals equation|van der Waals' constants]]<ref name="lange1522">''Lange's Handbook of Chemistry'' 10th ed, pp 1522-1524</ref>
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| | a = 2471 L<sup>2</sup> kPa/mol<sup>2</sup><br> b = 0.1735 liter per mole
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| |}
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| ==Vapor pressure of liquid==
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| {| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: white; border-collapse: collapse; border-color: #C0C090;"
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| | {{chembox header}} | '''P in mm Hg''' || 1 || 10 || 40 || 100 || 400 || 760 || 1520 || 3800 || 7600 || 15200 || 30400 || 45600
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| | {{chembox header}} | '''T in °C''' || –53.9 || –25.0 || –2.3 || 15.8 || 49.6 || 68.7 || 93.0 || 131.7 || 166.6 || 209.4 || — || —
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| |}
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| Table data obtained from ''CRC Handbook of Chemistry and Physics'' 44th ed.
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| [[Image:LogHexaneVaoporPressure.png|thumb|770px|left|'''log<sub>10</sub> of Hexane vapor pressure.''' Uses formula: <math>\scriptstyle \log_e P_{mmHg} =</math><math>\scriptstyle \log_e (\frac {760} {101.325}) - 13.99935 \log_e(T+273.15) - \frac {7284.572} {T+273.15} + 105.9605 + 1.410325 \times 10^{-5} (T+273.15)^2</math> obtained from CHERIC<ref name="cheric_p">{{Cite web|url=http://www.cheric.org/research/kdb/hcprop/cmpsrch.php|title=Pure Component Properties|format=Queriable database|publisher=Chemical Engineering Research Information Center|accessdate=25 May 2007}}</ref>]]{{Clear}}
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| ==Distillation data==
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| {|
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| | bgcolor="#D0D0D0" align=center colspan="3" | '''Vapor-Liquid Equilibrium<br>of ''n''-Hexane/[[Ethanol]]'''<ref name="cheric_b">{{Cite web|url=http://www.cheric.org/research/kdb/hcvle/hcvle.php|title=Binary Vapor-Liquid Equilibrium Data|publisher=Chemical Engineering Research Information Center|accessdate=25 May 2007}}</ref><br>''P'' = 760 mm Hg
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| |- {{chembox header}}
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| ! rowspan="2" | BP<br>Temp.<br>°C
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| ! colspan="2" | % by mole ethanol
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| |- {{chembox header}}
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| ! liquid !! vapor
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| | 76.0 || 99.0 || 90.5
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| | 73.2 || 98.0 || 80.7
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| | 67.4 || 94.0 || 63.5
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| | 65.9 || 92.0 || 58.0
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| | 61.8 || 84.8 || 46.8
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| | 59.4 || 75.5 || 39.5
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| | 58.7 || 66.7 || 37.0
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| | 58.35 || 54.8 || 36.0
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| | 58.1 || 41.2 || 35.0
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| | 58.0 || 33.0 || 34.0
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| | 58.25 || 27.5 || 33.0
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| | 58.45 || 23.5 || 32.5
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| | 59.15 || 10.2 || 29.0
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| | 60.2 || 4.5 || 25.5
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| | 63.5 || 1.0 || 16.0
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| | 66.7 || 0.6 || 6.5
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| |}
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| | bgcolor="#D0D0D0" align=center colspan="3" | '''Vapor-Liquid Equilibrium<br>of ''n''-Hexane/[[Methanol]]'''<ref name="cheric_b"/><br>''P'' = 760 mm Hg
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| |- {{chembox header}}
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| ! rowspan="2" | BP<br>Temp.<br>°C
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| ! colspan="2" | % by mole methanol
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| |- {{chembox header}}
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| ! liquid !! vapor
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| | 56.9 || 1.0 || 30.0
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| | 51.3 || 2.2 || 41.8
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| | 51.2 || 4.0 || 43.9
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| | 50.5 || 9.5 || 47.7
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| | 49.9 || 17.5 || 49.1
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| | 50.0 || 28.3 || 49.6
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| | 49.9 || 40.5 || 49.7
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| | 49.0 || 52.5 || 50.2
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| | 49.9 || 70.4 || 50.0
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| | 49.9 || 72.4 || 50.0
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| | 50.2 || 84.6 || 51.6
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| | 50.1 || 85.4 || 51.6
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| | 50.2 || 87.5 || 51.5
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| | 51.4 || 90.6 || 55.0
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| | 51.2 || 90.6 || 55.1
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| | 51.7 || 92.2 || 56.0
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| | 51.6 || 92.3 || 56.0
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| | 52.8 || 94.9 || 61.2
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| | 53.8 || 95.7 || 63.5
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| | 54.7 || 96.5 || 66.4
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| | 55.8 || 96.5 || 69.5
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| | 55.6 || 96.8 || 69.4
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| | 58.2 || 97.7 || 76.8
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| | 57.9 || 97.8 || 75.5
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| | 63.0 || 99.3 || 93.5
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| | 63.5 || 99.55 || 95.0
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| |}
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| {| border="1" cellspacing="0" cellpadding="6" style="margin: 0 0 0 0.5em; background: white; border-collapse: collapse; border-color: #C0C090;"
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| | bgcolor="#D0D0D0" align=center colspan="3" | '''Vapor-Liquid Equilibrium<br>of ''n''-Hexane/[[heptane|''n''-Heptane]]'''<ref name="cheric_b"/><br>''P'' = 101.0 kPa
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| |- {{chembox header}}
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| ! rowspan="2" | BP<br>Temp.<br>°C
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| ! colspan="2" | % by mole hexane
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| |- {{chembox header}}
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| ! liquid !! vapor
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| | 98.32 || 0.00 || 0.00
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| | 96.30 || 3.83 || 8.52
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| | 94.03 || 9.64 || 19.86
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| | 92.35 || 13.63 || 27.31
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| | 90.37 || 19.04 || 36.00
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| | 88.26 || 24.59 || 44.07
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| | 85.96 || 31.46 || 52.58
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| | 83.22 || 39.53 || 62.36
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| | 82.41 || 43.21 || 65.34
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| | 80.80 || 48.53 || 70.30
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| | 79.78 || 51.23 || 72.70
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| | 78.79 || 55.71 || 76.22
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| | 77.12 || 61.87 || 80.74
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| | 75.57 || 68.24 || 84.95
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| | 74.98 || 70.12 || 86.15
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| | 73.51 || 76.79 || 89.93
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| | 81.40 || 81.60 || 92.40
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| | 70.59 || 89.91 || 96.37
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| | 68.66 || 100.00 || 100.00
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| |}
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| {{Clear}}
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| == Spectral data == <!-- KEEP this header, it is linked to from the infobox on the main article page -->
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| {| border="1" cellspacing="0" cellpadding="3" style="margin: 0 0 0 0.5em; background: #FFFFFF; border-collapse: collapse; border-color: #C0C090;"
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| ! {{chembox header}} | [[UV/VIS spectroscopy|UV-Vis]]
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| | [[Lambda-max|λ<sub>max</sub>]]
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| | ? [[Nanometre|nm]]
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| | [[molar absorptivity|Extinction coefficient]], ε
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| | ?
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| ! {{chembox header}} | [[Infrared|IR]]
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| | Major absorption bands
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| | ? cm<sup>−1</sup>
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| ! {{chembox header}} | [[NMR Spectroscopy|NMR]]
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| | [[Proton NMR]] <!-- Link to image of spectrum -->
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| | (CDCl<sub>3</sub>, 400 MHz) δ 1.35-1.23 (m, 8H), 0.91-0.86 (m, 6H)
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| | [[Carbon-13 NMR]] <!-- Link to image of spectrum -->
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| | (CDCl<sub>3</sub>, 25 MHz) δ 31.9, 22.9, 12.2
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| | Other NMR data <!-- Insert special data e.g. <sup>19</sup>F chem. shifts, omit if not used -->
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| ! {{chembox header}} | [[Mass Spectrometry|MS]]
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| | Masses of <br>main fragments
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| | <!-- Give list of major fragments -->
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| |}
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| ==References==
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| <references/>
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| * {{Cite web|url=http://webbook.nist.gov/chemistry/|title=NIST Standard Reference Database}}
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| Except where noted otherwise, data relate to [[standard ambient temperature and pressure]].
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| [[wikipedia:Chemical infobox|Disclaimer]] applies.
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| {{Use dmy dates|date=September 2010}}
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| {{DEFAULTSORT:Hexane (Data Page)}}
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| [[Category:Chemical data pages]]
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