- InChI
- InChI=1S/C12H24/c1-2-3-4-6-9-12-10-7-5-8-11-12/h12H,2-11H2,1H3
- InChI Key
- QHWAQXOSHHKCFK-UHFFFAOYSA-N
- Formula
- C12H24
- SMILES
- CCCCCCC1CCCCC1
- Molecular Weight1
- 168.32
- CAS
- 4292-75-5
- Other Names
-
- 1-CYCLOHEXYLHEXANE
- 1-HEXYLCYCLOHEXANE
- Cyclohexane, n-hexyl-
- HEXYLCYCLOHEXANE
- Hexane, 1-cyclohexyl-
- n-Hexylcyclohexane
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4560 | KDB | |
| ΔcH°liquid | -7897.80 ± 1.60 | kJ/mol | NIST |
| ΔfG° | 74.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.40 ± 1.80 | kJ/mol | NIST |
| ΔfusH° | 18.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [55.90; 59.90] | kJ/mol |
|
| ΔvapH° | 55.90 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 58.95 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 59.00 ± 0.50 | kJ/mol | NIST |
| ΔvapH° | 59.90 | kJ/mol | NIST |
| log10WS | -4.50 | Crippen Calculated Property | |
| logPoct/wat | 4.537 | Crippen Calculated Property | |
| McVol | 169.080 | ml/mol | McGowan Calculated Property |
| Pc | 2130.00 | kPa | KDB |
| Inp | [1222.00; 1259.00] |
|
|
| Inp | 1246.00 | NIST | |
| Inp | Outlier 1222.00 | NIST | |
| Inp | 1236.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | 1243.00 | NIST | |
| Inp | Outlier 1259.00 | NIST | |
| Inp | 1233.90 | NIST | |
| Inp | 1237.70 | NIST | |
| Inp | 1239.50 | NIST | |
| Inp | 1237.70 | NIST | |
| Inp | 1237.10 | NIST | |
| Inp | 1224.00 | NIST | |
| Inp | 1233.90 | NIST | |
| Inp | 1237.70 | NIST | |
| Inp | 1239.50 | NIST | |
| Inp | 1237.70 | NIST | |
| Inp | 1237.10 | NIST | |
| Inp | 1231.08 | NIST | |
| Inp | 1235.37 | NIST | |
| Inp | 1238.08 | NIST | |
| Inp | 1237.21 | NIST | |
| Inp | 1241.62 | NIST | |
| Inp | 1244.73 | NIST | |
| Inp | 1247.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1229.00 | NIST | |
| Inp | 1233.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | 1234.00 | NIST | |
| Inp | 1247.00 | NIST | |
| I | [1287.60; 1322.00] |
|
|
| I | 1312.00 | NIST | |
| I | 1322.00 | NIST | |
| I | 1302.00 | NIST | |
| I | 1298.60 | NIST | |
| I | 1304.10 | NIST | |
| I | 1309.40 | NIST | |
| I | 1315.10 | NIST | |
| I | 1320.40 | NIST | |
| I | 1287.60 | NIST | |
| I | 1293.20 | NIST | |
| I | 1312.00 | NIST | |
| Tboil | [493.15; 497.93] | K |
|
| Tboil | 497.90 | K | KDB |
| Tboil | 497.93 ± 0.20 | K | NIST |
| Tboil | 497.93 ± 0.50 | K | NIST |
| Tboil | 497.80 ± 0.60 | K | NIST |
| Tboil | 493.15 ± 2.00 | K | NIST |
| Tboil | 494.15 ± 2.00 | K | NIST |
| Tc | 691.80 | K | KDB |
| Tfus | [225.64; 264.00] | K |
|
| Tfus | 264.00 | K | KDB |
| Tfus | 225.64 ± 0.20 | K | NIST |
| Tfus | 225.64 ± 0.50 | K | NIST |
| Vc | 0.640 | m3/kmol | KDB |
| Zc | 0.2371820 | KDB |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [395.17; 506.14] | J/mol×K | [493.51; 685.76] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 400 420 440 460 480 500 500 550 600 650 | ||||
| Cp,gas | 395.17 | J/mol×K | 493.51 | Joback Calculated Property |
| Cp,gas | 416.07 | J/mol×K | 525.55 | Joback Calculated Property |
| Cp,gas | 435.98 | J/mol×K | 557.59 | Joback Calculated Property |
| Cp,gas | 454.91 | J/mol×K | 589.64 | Joback Calculated Property |
| Cp,gas | 472.89 | J/mol×K | 621.68 | Joback Calculated Property |
| Cp,gas | 489.96 | J/mol×K | 653.72 | Joback Calculated Property |
| Cp,gas | 506.14 | J/mol×K | 685.76 | Joback Calculated Property |
| η | [0.0002343; 0.0082624] | Pa×s | [232.38; 493.51] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 2.00e-3 4.00e-3 6.00e-3 8.00e-3 300 400 | ||||
| η | 0.0082624 | Pa×s | 232.38 | Joback Calculated Property |
| η | 0.0028566 | Pa×s | 275.90 | Joback Calculated Property |
| η | 0.0013191 | Pa×s | 319.42 | Joback Calculated Property |
| η | 0.0007331 | Pa×s | 362.94 | Joback Calculated Property |
| η | 0.0004621 | Pa×s | 406.47 | Joback Calculated Property |
| η | 0.0003184 | Pa×s | 449.99 | Joback Calculated Property |
| η | 0.0002343 | Pa×s | 493.51 | Joback Calculated Property |
| ΔvapH | 42.84 | kJ/mol | 497.90 | KDB |
| ρl | [757.30; 811.34] | kg/m3 | [288.15; 363.15] |
|
|
T(K) Liquid Density (kg/m3) 760 770 780 790 800 810 300 320 340 360 | ||||
| ρl | 811.34 | kg/m3 | 288.15 | Thermop... |
| ρl | 807.71 | kg/m3 | 293.15 | Densiti... |
| ρl | 807.76 | kg/m3 | 293.15 | Thermop... |
| ρl | 804.19 | kg/m3 | 298.15 | Thermop... |
| ρl | 800.61 | kg/m3 | 303.15 | Thermop... |
| ρl | 800.56 | kg/m3 | 303.15 | Densiti... |
| ρl | 793.43 | kg/m3 | 313.15 | Thermop... |
| ρl | 793.40 | kg/m3 | 313.15 | Densiti... |
| ρl | 786.25 | kg/m3 | 323.15 | Thermop... |
| ρl | 786.22 | kg/m3 | 323.15 | Densiti... |
| ρl | 779.05 | kg/m3 | 333.15 | Thermop... |
| ρl | 779.02 | kg/m3 | 333.15 | Densiti... |
| ρl | 771.80 | kg/m3 | 343.15 | Densiti... |
| ρl | 764.60 | kg/m3 | 353.15 | Densiti... |
| ρl | 757.30 | kg/m3 | 363.15 | Densiti... |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [368.13; 530.33] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42234e+01 | |||
| Coefficient B | -4.00982e+03 | |||
| Coefficient C | -8.03920e+01 | |||
| Temperature range, min. | 368.13 | |||
| Temperature range, max. | 530.33 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 400 450 500 | ||||
| Pvap | 1.33 | kPa | 368.13 | Calculated Property |
| Pvap | 3.03 | kPa | 386.15 | Calculated Property |
| Pvap | 6.29 | kPa | 404.17 | Calculated Property |
| Pvap | 12.09 | kPa | 422.20 | Calculated Property |
| Pvap | 21.75 | kPa | 440.22 | Calculated Property |
| Pvap | 37.01 | kPa | 458.24 | Calculated Property |
| Pvap | 60.00 | kPa | 476.26 | Calculated Property |
| Pvap | 93.26 | kPa | 494.29 | Calculated Property |
| Pvap | 139.72 | kPa | 512.31 | Calculated Property |
| Pvap | 202.66 | kPa | 530.33 | Calculated Property |
| Pvap | [8.07e-04; 2124.93] | kPa | [265.15; 691.81] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.05859e+02 | |||
| Coefficient B | -1.07629e+04 | |||
| Coefficient C | -1.30421e+01 | |||
| Coefficient D | 5.52864e-06 | |||
| Temperature range, min. | 265.15 | |||
| Temperature range, max. | 691.81 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 400 600 | ||||
| Pvap | 8.07e-04 | kPa | 265.15 | Calculated Property |
| Pvap | 0.05 | kPa | 312.56 | Calculated Property |
| Pvap | 0.91 | kPa | 359.96 | Calculated Property |
| Pvap | 7.22 | kPa | 407.37 | Calculated Property |
| Pvap | 33.83 | kPa | 454.78 | Calculated Property |
| Pvap | 111.40 | kPa | 502.18 | Calculated Property |
| Pvap | 287.44 | kPa | 549.59 | Calculated Property |
| Pvap | 624.85 | kPa | 597.00 | Calculated Property |
| Pvap | 1203.00 | kPa | 644.40 | Calculated Property |
| Pvap | 2124.93 | kPa | 691.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, hexyl-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Densities, Speeds of Sound, and Viscosities of Binary Mixtures of an n-Alkylcyclohexane (n-Propyl-, n-Pentyl-, n-Hexyl-, n-Heptyl, n-Octyl-, n-Nonyl-, n-Decyl-, and n-Dodecyl-) with n-Hexadecane
- Thermophysical Properties of Binary Mixtures of n-Dodecane with n-Alkylcyclohexanes: Experimental Measurements and Molecular Dynamics Simulations
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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