- InChI
- InChI=1S/C14H18O3/c1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16)
- InChI Key
- JKJAJSWMKTWWJS-UHFFFAOYSA-N
- Formula
- C14H18O3
- SMILES
- COc1ccc(C2(C(=O)O)CCCCC2)cc1
- Molecular Weight1
- 234.29
- CAS
- 7469-83-2
- Other Names
-
- Cyclohexanecarboxylic acid, 1-(4-methoxyphenyl)-
- 1-(4-methoxyphenyl)cyclohexane-1-carboxylic 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° | -182.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.81 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 2.982 | Crippen Calculated Property | |
| McVol | 186.810 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Tboil | 739.64 | K | Joback Calculated Property |
| Tc | 964.74 | K | Joback Calculated Property |
| Tfus | 450.74 | K | Joback Calculated Property |
| Vc | 0.685 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.54; 626.34] | J/mol×K | [739.64; 964.74] | 
|
| Cp,gas | 541.54 | J/mol×K | 739.64 | Joback Calculated Property |
| Cp,gas | 557.08 | J/mol×K | 777.16 | Joback Calculated Property |
| Cp,gas | 571.89 | J/mol×K | 814.67 | Joback Calculated Property |
| Cp,gas | 586.08 | J/mol×K | 852.19 | Joback Calculated Property |
| Cp,gas | 599.81 | J/mol×K | 889.70 | Joback Calculated Property |
| Cp,gas | 613.18 | J/mol×K | 927.22 | Joback Calculated Property |
| Cp,gas | 626.34 | J/mol×K | 964.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(4-Methoxyphenyl)-1-cyclohexanecarboxylic acid.
Sources
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