# Hexane (data page)

This page provides supplementary chemical data on n-hexane.

## Material Safety Data Sheet

The handling of this chemical may incur notable safety precautions. It is highly recommend that you seek the Material Safety Datasheet (MSDS) for this chemical from a reliable source and follow its directions.
* eChemPortal
* Science Stuff
* Fisher Scientific.

## Structure and properties

Structure and properties :
| Index of refraction, n$_D$ | 1.3727 at 20 °C |
| Abbe number | ? |
| Dielectric constant, ε$_r$ | 1.890 ε$_0$ at 20 °C |
| Bond strength | ? |
| Bond length | |
| Bond angle | ? |
| Magnetic susceptibility | ? |
| Surface tension | 20.5 dyn/cm at 0 °C 18.4 dyn/cm at 20 °C 13.4 dyn/cm at 68 °C |
| Viscosity | 0.4012 mPa·s at 0 °C 0.3258 mPa·s at 20 °C 0.2798 mPa·s at 40 °C 0.2288 mPa·s at 80 °C |

## Thermodynamic properties

Phase behavior :
| Triple point | 178.0 K (–95.1 °C), 1.23 Pa |
| Critical point | 507.6 K (234.5 °C), 3020 kPa |
| Std enthalpy change of fusion, Δ$_{fus}$H$^o$ | 13 kJ/mol |
| Std entropy change of fusion, Δ$_{fus}$S$^o$ | 70 J/(mol·K) |
| Std enthalpy change of vaporization, Δ$_{vap}$H$^o$ | 28.85 kJ/mol at 68.8 °C |
| Std entropy change of vaporization, Δ$_{vap}$S$^o$ | ? J/(mol·K) |
| Solid properties ||
| Std enthalpy change of formation, Δ$_f$H$^o$$_{solid}$ | ? kJ/mol |
| Standard molar entropy, S$^o$$_{solid}$ | ? J/(mol K) |
| Heat capacity, c$_p$ | ? J/(mol K) |
| Liquid properties ||
| Std enthalpy change of formation, Δ$_f$H$^o$$_{liquid}$ | –198.7 kJ/mol |
| Standard molar entropy, S$^o$$_{liquid}$ | 295 J/(mol K) |
| Enthalpy of combustion, Δ$_c$H$^o$ | –4163 kJ/mol |
| Heat capacity, c$_p$ | 197.66 J/(mol K) |
| Gas properties ||
| Std enthalpy change of formation, Δ$_f$H$^o$$_{gas}$ | –167.2 kJ/mol |
| Standard molar entropy, S$^o$$_{gas}$ | 388.82 J/(mol K) |
| Heat capacity, c$_p$ | 142.6 J/(mol K) at 25 °C |
| van der Waals' constants | a = 2471 L$^2$ kPa/mol$^2$ b = 0.1735 liter per mole |

## Vapor pressure of liquid

| P in mm Hg | P in mm Hg | 1 | 10 | 40 | 100 | 400 | 760 | 1520 | 3800 | 7600 | 15200 | 30400 | 45600 |
| T in °C | T in °C | –53.9 | –25.0 | –2.3 | 15.8 | 49.6 | 68.7 | 93.0 | 131.7 | 166.6 | 209.4 | — | — |
Table data obtained from CRC Handbook of Chemistry and Physics 44th ed.

## Distillation data

Vapor-Liquid Equilibrium of n-Hexane/Ethanol P = 760 mm Hg :
| BP Temp. °C | % by mole ethanol | % by mole ethanol |
| BP Temp. °C | liquid | vapor |
| 76.0 | 99.0 | 90.5 |
| 73.2 | 98.0 | 80.7 |
| 67.4 | 94.0 | 63.5 |
| 65.9 | 92.0 | 58.0 |
| 61.8 | 84.8 | 46.8 |
| 59.4 | 75.5 | 39.5 |
| 58.7 | 66.7 | 37.0 |
| 58.35 | 54.8 | 36.0 |
| 58.1 | 41.2 | 35.0 |
| 58.0 | 33.0 | 34.0 |
| 58.25 | 27.5 | 33.0 |
| 58.45 | 23.5 | 32.5 |
| 59.15 | 10.2 | 29.0 |
| 60.2 | 4.5 | 25.5 |
| 63.5 | 1.0 | 16.0 |
| 66.7 | 0.6 | 6.5 |
Vapor-Liquid Equilibrium of n-Hexane/Methanol P = 760 mm Hg :
| BP Temp. °C | % by mole methanol | % by mole methanol |
| BP Temp. °C | liquid | vapor |
| 56.9 | 1.0 | 30.0 |
| 51.3 | 2.2 | 41.8 |
| 51.2 | 4.0 | 43.9 |
| 50.5 | 9.5 | 47.7 |
| 49.9 | 17.5 | 49.1 |
| 50.0 | 28.3 | 49.6 |
| 49.9 | 40.5 | 49.7 |
| 49.0 | 52.5 | 50.2 |
| 49.9 | 70.4 | 50.0 |
| 49.9 | 72.4 | 50.0 |
| 50.2 | 84.6 | 51.6 |
| 50.1 | 85.4 | 51.6 |
| 50.2 | 87.5 | 51.5 |
| 51.4 | 90.6 | 55.0 |
| 51.2 | 90.6 | 55.1 |
| 51.7 | 92.2 | 56.0 |
| 51.6 | 92.3 | 56.0 |
| 52.8 | 94.9 | 61.2 |
| 53.8 | 95.7 | 63.5 |
| 54.7 | 96.5 | 66.4 |
| 55.8 | 96.5 | 69.5 |
| 55.6 | 96.8 | 69.4 |
| 58.2 | 97.7 | 76.8 |
| 57.9 | 97.8 | 75.5 |
| 63.0 | 99.3 | 93.5 |
| 63.5 | 99.55 | 95.0 |
Vapor-Liquid Equilibrium of n-Hexane/n-Heptane P = 101.0 kPa :
| BP Temp. °C | % by mole hexane | % by mole hexane |
| BP Temp. °C | liquid | vapor |
| 98.32 | 0.00 | 0.00 |
| 96.30 | 3.83 | 8.52 |
| 94.03 | 9.64 | 19.86 |
| 92.35 | 13.63 | 27.31 |
| 90.37 | 19.04 | 36.00 |
| 88.26 | 24.59 | 44.07 |
| 85.96 | 31.46 | 52.58 |
| 83.22 | 39.53 | 62.36 |
| 82.41 | 43.21 | 65.34 |
| 80.80 | 48.53 | 70.30 |
| 79.78 | 51.23 | 72.70 |
| 78.79 | 55.71 | 76.22 |
| 77.12 | 61.87 | 80.74 |
| 75.57 | 68.24 | 84.95 |
| 74.98 | 70.12 | 86.15 |
| 73.51 | 76.79 | 89.93 |
| 81.40 | 81.60 | 92.40 |
| 70.59 | 89.91 | 96.37 |
| 68.66 | 100.00 | 100.00 |

## Spectral data

UV-Vis :
| λ$_{max}$ | ? nm |
| Extinction coefficient, ε | ? |
| IR ||
| Major absorption bands | ? cm$^{−1}$ |
| NMR ||
| Proton NMR | (CDCl$_3$, 400 MHz) δ 1.35-1.23 (m, 8H), 0.91-0.86 (m, 6H) |
| Carbon-13 NMR | (CDCl$_3$, 25 MHz) δ 31.9, 22.9, 12.2 |
| Other NMR data | |
| MS ||
| Masses of main fragments | |
* view
* Except where noted otherwise, data relate to Standard temperature and pressure.
* Reliability of data general note.