- InChI
- InChI=1S/C14H16O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10H2
- InChI Key
- UZOGMVJYLSQKCU-UHFFFAOYSA-N
- Formula
- C14H16O3
- SMILES
- O=C1CCCCC1C(=O)OCc1ccccc1
- Molecular Weight1
- 232.28
- CAS
- 2205-32-5
- 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° | -152.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.87 | kJ/mol | Joback Calculated Property |
| log10WS | -3.08 | Crippen Calculated Property | |
| logPoct/wat | 2.489 | Crippen Calculated Property | |
| McVol | 182.510 | ml/mol | McGowan Calculated Property |
| Pc | 2643.39 | kPa | Joback Calculated Property |
| Tboil | 710.06 | K | Joback Calculated Property |
| Tc | 956.53 | K | Joback Calculated Property |
| Tfus | 421.72 | K | Joback Calculated Property |
| Vc | 0.675 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [518.18; 605.03] | J/mol×K | [710.06; 956.53] | 
|
| Cp,gas | 518.18 | J/mol×K | 710.06 | Joback Calculated Property |
| Cp,gas | 536.39 | J/mol×K | 751.14 | Joback Calculated Property |
| Cp,gas | 553.11 | J/mol×K | 792.22 | Joback Calculated Property |
| Cp,gas | 568.32 | J/mol×K | 833.29 | Joback Calculated Property |
| Cp,gas | 582.04 | J/mol×K | 874.37 | Joback Calculated Property |
| Cp,gas | 594.27 | J/mol×K | 915.45 | Joback Calculated Property |
| Cp,gas | 605.03 | J/mol×K | 956.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanone--2-carboxylic acid, benzyl ester.
Sources
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