- InChI
- InChI=1S/C13H16O2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,14,15)
- InChI Key
- QCIWHVKGVVQHIY-UHFFFAOYSA-N
- Formula
- C13H16O2
- SMILES
- O=C(O)c1ccc(C2CCCCC2)cc1
- Molecular Weight1
- 204.27
- Other Names
-
- Benzoic acid, 4-cyclohexyl-
- P-cyclohexylbenzoic acid
- ω : Acentric Factor.
- 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).
- 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).
- Tboil : Normal Boiling Point Temperature (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 |
|---|---|---|---|
| ω | 0.7219 | Relay (1.0) Calculated Property | |
| ΔfG° | -158.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -390.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.11 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.433 | Crippen Calculated Property | |
| McVol | 166.850 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Tboil | 610.51 | K | Relay (1.0) Calculated Property |
| Tc | 863.45 | K | Relay (1.0) Calculated Property |
| Tfus | 469.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.06; 564.30] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -8.95400e+01 | |||
| Coefficient B | 1.27330e+00 | |||
| Coefficient C | -8.01160e-04 | |||
| Coefficient D | 1.81700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 202.06 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 268.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 327.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 378.74 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 423.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 461.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 494.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 521.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 545.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 564.30 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008701; 0.0001997] | Pa×s | [469.15; 657.58] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.21836e+01 | |||
| Coefficient B | 2.40989e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 469.15 | |||
| Temperature range, max. | 657.58 | |||
| η | 0.0008701 | Pa×s | 469.15 | Calculated Property |
| η | 0.0006987 | Pa×s | 490.09 | Calculated Property |
| η | 0.0005712 | Pa×s | 511.02 | Calculated Property |
| η | 0.0004745 | Pa×s | 531.96 | Calculated Property |
| η | 0.0003997 | Pa×s | 552.89 | Calculated Property |
| η | 0.0003409 | Pa×s | 573.83 | Calculated Property |
| η | 0.0002941 | Pa×s | 594.77 | Calculated Property |
| η | 0.0002562 | Pa×s | 615.70 | Calculated Property |
| η | 0.0002253 | Pa×s | 636.64 | Calculated Property |
| η | 0.0001997 | Pa×s | 657.58 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyclohexylbenzoic acid.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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