- InChI
- InChI=1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
- InChI Key
- IGARGHRYKHJQSM-UHFFFAOYSA-N
- Formula
- C12H16
- SMILES
- c1ccc(C2CCCCC2)cc1
- Molecular Weight1
- 160.26
- CAS
- 827-52-1
- Other Names
-
- 1,1'-Biphenyl, 1,2,3,4,5,6-hexahydro-
- 1,2,3,4,5,6-HEXAHYDRO-1,1'-BIPHENYL
- Cyclohexane, phenyl-
- Cyclohexylbenzene
- PHENYL CYCLOHEXANE
- Phenylcyclohexane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | [-6932.22; -6929.60] | kJ/mol |
|
| ΔcH°liquid | -6929.60 ± 5.40 | kJ/mol | NIST |
| ΔcH°liquid | -6932.22 ± 0.92 | kJ/mol | NIST |
| ΔfG° | 187.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | [-16.70; -14.20] | kJ/mol |
|
| ΔfH°gas | -16.70 ± 1.50 | kJ/mol | NIST |
| ΔfH°gas | -14.20 | kJ/mol | NIST |
| ΔfH°liquid | [-79.10; -76.60] | kJ/mol |
|
| ΔfH°liquid | -79.10 ± 5.60 | kJ/mol | NIST |
| ΔfH°liquid | -76.60 ± 1.10 | kJ/mol | NIST |
| ΔfusH° | 12.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.01 | kJ/mol | Joback Calculated Property |
| IE | 8.10 | eV | NIST |
| log10WS | -3.81 | Crippen Calculated Property | |
| logPoct/wat | 3.734 | Crippen Calculated Property | |
| McVol | 145.320 | ml/mol | McGowan Calculated Property |
| Pc | 2973.04 | kPa | Joback Calculated Property |
| Inp | [1289.00; 1357.00] |
|
|
| Inp | 1314.00 | NIST | |
| Inp | 1326.00 | NIST | |
| Inp | Outlier 1357.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1330.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1308.90 | NIST | |
| Inp | 1317.70 | NIST | |
| Inp | 1322.90 | NIST | |
| Inp | 1308.90 | NIST | |
| Inp | 1317.70 | NIST | |
| Inp | 1322.90 | NIST | |
| Inp | 1312.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Inp | 1296.00 | NIST | |
| Inp | 1333.00 | NIST | |
| Inp | 1302.00 | NIST | |
| Inp | 1289.00 | NIST | |
| I | [1643.00; 1662.00] |
|
|
| I | 1661.00 | NIST | |
| I | 1643.00 | NIST | |
| I | 1660.00 | NIST | |
| I | 1662.00 | NIST | |
| Tboil | [508.70; 513.27] | K |
|
| Tboil | 512.70 | K | NIST |
| Tboil | 508.70 | K | NIST |
| Tboil | 513.27 ± 0.20 | K | NIST |
| Tboil | 513.27 ± 0.50 | K | NIST |
| Tc | 760.98 | K | Joback Calculated Property |
| Tfus | 258.80 | K | Joback Calculated Property |
| Vc | 0.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.83; 439.99] | J/mol×K | [520.19; 760.98] |
|
| Cp,gas | 332.83 | J/mol×K | 520.19 | Joback Calculated Property |
| Cp,gas | 354.19 | J/mol×K | 560.32 | Joback Calculated Property |
| Cp,gas | 374.06 | J/mol×K | 600.45 | Joback Calculated Property |
| Cp,gas | 392.51 | J/mol×K | 640.58 | Joback Calculated Property |
| Cp,gas | 409.61 | J/mol×K | 680.72 | Joback Calculated Property |
| Cp,gas | 425.41 | J/mol×K | 720.85 | Joback Calculated Property |
| Cp,gas | 439.99 | J/mol×K | 760.98 | Joback Calculated Property |
| Cp,liquid | 263.20 | J/mol×K | 198.15 | NIST |
| η | [0.0002271; 0.0050551] | Pa×s | [258.80; 520.19] |
|
| η | 0.0050551 | Pa×s | 258.80 | Joback Calculated Property |
| η | 0.0020766 | Pa×s | 302.37 | Joback Calculated Property |
| η | 0.0010673 | Pa×s | 345.93 | Joback Calculated Property |
| η | 0.0006366 | Pa×s | 389.50 | Joback Calculated Property |
| η | 0.0004213 | Pa×s | 433.06 | Joback Calculated Property |
| η | 0.0003007 | Pa×s | 476.62 | Joback Calculated Property |
| η | 0.0002271 | Pa×s | 520.19 | Joback Calculated Property |
| ΔfusH | [15.27; 15.30] | kJ/mol | [280.50; 280.50] |
|
| ΔfusH | 15.27 | kJ/mol | 280.50 | NIST |
| ΔfusH | 15.30 | kJ/mol | 280.50 | NIST |
| ΔfusH | 15.30 | kJ/mol | 280.50 | NIST |
| ΔvapH | [51.30; 56.40] | kJ/mol | [338.00; 467.00] |
|
| ΔvapH | 56.40 | kJ/mol | 338.00 | NIST |
| ΔvapH | 51.30 | kJ/mol | 467.00 | NIST |
| ΔfusS | 54.44 | J/mol×K | 280.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 400.70 | K | 4.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [380.39; 521.39] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.57050e+01 | |||
| Coefficient B | -4.49734e+03 | |||
| Coefficient C | -8.86800e+01 | |||
| Temperature range, min. | 380.39 | |||
| Temperature range, max. | 521.39 | |||
| Pvap | 1.33 | kPa | 380.39 | Calculated Property |
| Pvap | 2.93 | kPa | 396.06 | Calculated Property |
| Pvap | 5.95 | kPa | 411.72 | Calculated Property |
| Pvap | 11.33 | kPa | 427.39 | Calculated Property |
| Pvap | 20.37 | kPa | 443.06 | Calculated Property |
| Pvap | 34.86 | kPa | 458.72 | Calculated Property |
| Pvap | 57.12 | kPa | 474.39 | Calculated Property |
| Pvap | 90.04 | kPa | 490.06 | Calculated Property |
| Pvap | 137.16 | kPa | 505.72 | Calculated Property |
| Pvap | 202.67 | kPa | 521.39 | Calculated Property |
| Pvap | [9.57e-04; 2788.80] | kPa | [280.14; 744.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.08191e+02 | |||
| Coefficient B | -1.15507e+04 | |||
| Coefficient C | -1.31757e+01 | |||
| Coefficient D | 4.30979e-06 | |||
| Temperature range, min. | 280.14 | |||
| Temperature range, max. | 744.00 | |||
| Pvap | 9.57e-04 | kPa | 280.14 | Calculated Property |
| Pvap | 0.07 | kPa | 331.68 | Calculated Property |
| Pvap | 1.36 | kPa | 383.22 | Calculated Property |
| Pvap | 11.00 | kPa | 434.76 | Calculated Property |
| Pvap | 51.54 | kPa | 486.30 | Calculated Property |
| Pvap | 167.12 | kPa | 537.84 | Calculated Property |
| Pvap | 420.49 | kPa | 589.38 | Calculated Property |
| Pvap | 885.49 | kPa | 640.92 | Calculated Property |
| Pvap | 1643.58 | kPa | 692.46 | Calculated Property |
| Pvap | 2788.80 | kPa | 744.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, cyclohexyl-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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