- InChI
- InChI=1S/C13H15ClO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16)
- InChI Key
- UPNXUJXIIZGXLQ-UHFFFAOYSA-N
- Formula
- C13H15ClO2
- SMILES
- O=C(O)C1(c2ccc(Cl)cc2)CCCCC1
- Molecular Weight1
- 238.71
- CAS
- 58880-37-8
- Other Names
-
- 1-(4-Chlorophenyl)cyclohexane-1-carboxylic acid
- Cyclohexanecarboxylic acid, 1-(4-chlorophenyl)-
- 1-(4-chlorophenyl)cyclohexanecarboxylic acid
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -97.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.72 | Crippen Calculated Property | |
| logPoct/wat | 3.627 | Crippen Calculated Property | |
| McVol | 179.090 | ml/mol | McGowan Calculated Property |
| Pc | 3149.09 | kPa | Joback Calculated Property |
| Tboil | 731.77 | K | Joback Calculated Property |
| Tc | 966.51 | K | Joback Calculated Property |
| Tfus | 447.16 | K | Joback Calculated Property |
| Vc | 0.660 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.27; 566.01] | J/mol×K | [731.77; 966.51] | 
|
| Cp,gas | 487.27 | J/mol×K | 731.77 | Joback Calculated Property |
| Cp,gas | 501.57 | J/mol×K | 770.89 | Joback Calculated Property |
| Cp,gas | 515.18 | J/mol×K | 810.02 | Joback Calculated Property |
| Cp,gas | 528.26 | J/mol×K | 849.14 | Joback Calculated Property |
| Cp,gas | 540.98 | J/mol×K | 888.27 | Joback Calculated Property |
| Cp,gas | 553.51 | J/mol×K | 927.39 | Joback Calculated Property |
| Cp,gas | 566.01 | J/mol×K | 966.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(4-Chlorophenyl)-1-cyclohexane-carboxylic acid.
Sources
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