- InChI
- InChI=1S/C15H14O2/c1-17-14(16)15(11-7-2-3-8-12-15)13-9-5-4-6-10-13/h2-12H,1H3
- InChI Key
- FUHBRHWSRVQTRY-UHFFFAOYSA-N
- Formula
- C15H14O2
- SMILES
- COC(=O)C1(c2ccccc2)C=CC=CC=C1
- Molecular Weight1
- 226.27
- CAS
- 32777-12-1
- 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° | 50.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.74 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 2.780 | Crippen Calculated Property | |
| McVol | 182.130 | ml/mol | McGowan Calculated Property |
| Pc | 2775.92 | kPa | Joback Calculated Property |
| Tboil | 667.11 | K | Joback Calculated Property |
| Tc | 921.62 | K | Joback Calculated Property |
| Tfus | 387.43 | K | Joback Calculated Property |
| Vc | 0.672 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.55; 558.39] | J/mol×K | [667.11; 921.62] | 
|
| Cp,gas | 468.55 | J/mol×K | 667.11 | Joback Calculated Property |
| Cp,gas | 485.85 | J/mol×K | 709.53 | Joback Calculated Property |
| Cp,gas | 501.97 | J/mol×K | 751.95 | Joback Calculated Property |
| Cp,gas | 517.09 | J/mol×K | 794.37 | Joback Calculated Property |
| Cp,gas | 531.41 | J/mol×K | 836.79 | Joback Calculated Property |
| Cp,gas | 545.11 | J/mol×K | 879.20 | Joback Calculated Property |
| Cp,gas | 558.39 | J/mol×K | 921.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4,6-Cycloheptatriene-1-carboxylic acid, 1-phenyl-, methyl ester.
Sources
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