- InChI
- InChI=1S/C14H17NO3/c15-13(16)11-6-7-12(8-11)14(17)18-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H2,15,16)/t11-,12+/m1/s1
- InChI Key
- WJYZBHHXSBEBJY-NEPJUHHUSA-N
- Formula
- C14H17NO3
- SMILES
- NC(=O)C1CCC(C(=O)OCc2ccccc2)C1
- Molecular Weight1
- 247.29
- 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° | -88.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -379.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.76 | Crippen Calculated Property | |
| logPoct/wat | 1.631 | Crippen Calculated Property | |
| McVol | 192.490 | ml/mol | McGowan Calculated Property |
| Pc | 2718.33 | kPa | Joback Calculated Property |
| Tboil | 759.70 | K | Joback Calculated Property |
| Tc | 998.64 | K | Joback Calculated Property |
| Tfus | 485.97 | K | Joback Calculated Property |
| Vc | 0.711 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [570.52; 645.24] | J/mol×K | [759.70; 998.64] | 
|
| Cp,gas | 570.52 | J/mol×K | 759.70 | Joback Calculated Property |
| Cp,gas | 586.17 | J/mol×K | 799.52 | Joback Calculated Property |
| Cp,gas | 600.47 | J/mol×K | 839.35 | Joback Calculated Property |
| Cp,gas | 613.48 | J/mol×K | 879.17 | Joback Calculated Property |
| Cp,gas | 625.24 | J/mol×K | 919.00 | Joback Calculated Property |
| Cp,gas | 635.81 | J/mol×K | 958.82 | Joback Calculated Property |
| Cp,gas | 645.24 | J/mol×K | 998.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopentanecarboxylic acid, 3-carbamoyl-, cis , benzyl ester.
Sources
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