- 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
-
- 4-Cyclohexylbenzoic acid
- Benzoic acid, 4-cyclohexyl-
- 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 | 466.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.585 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.90; 550.22] | J/mol×K | [693.76; 939.39] | 
|
| Cp,gas | 468.90 | J/mol×K | 693.76 | Joback Calculated Property |
| Cp,gas | 485.56 | J/mol×K | 734.70 | Joback Calculated Property |
| Cp,gas | 500.88 | J/mol×K | 775.64 | Joback Calculated Property |
| Cp,gas | 514.93 | J/mol×K | 816.58 | Joback Calculated Property |
| Cp,gas | 527.79 | J/mol×K | 857.52 | Joback Calculated Property |
| Cp,gas | 539.53 | J/mol×K | 898.46 | Joback Calculated Property |
| Cp,gas | 550.22 | J/mol×K | 939.39 | Joback Calculated Property |
| η | [0.0001649; 0.0011756] | Pa×s | [443.19; 693.76] |
|
| η | 0.0011756 | Pa×s | 443.19 | Joback Calculated Property |
| η | 0.0007360 | Pa×s | 484.95 | Joback Calculated Property |
| η | 0.0004964 | Pa×s | 526.71 | Joback Calculated Property |
| η | 0.0003547 | Pa×s | 568.48 | Joback Calculated Property |
| η | 0.0002654 | Pa×s | 610.24 | Joback Calculated Property |
| η | 0.0002060 | Pa×s | 652.00 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 693.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Cyclohexylbenzoic acid.
Sources
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