- InChI
- InChI=1S/C10H9NO3/c12-9(6-7-10(13)14)11-8-4-2-1-3-5-8/h1-7H,(H,11,12)(H,13,14)
- InChI Key
- WHZLCOICKHIPRL-UHFFFAOYSA-N
- Formula
- C10H9NO3
- SMILES
- O=C(O)C=CC(=O)Nc1ccccc1
- Molecular Weight1
- 191.19
- 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° | -79.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.69 | kJ/mol | Joback Calculated Property |
| log10WS | -2.72 | Aq. Sol... | |
| logPoct/wat | 1.266 | Crippen Calculated Property | |
| McVol | 142.690 | ml/mol | McGowan Calculated Property |
| Pc | 4088.15 | kPa | Joback Calculated Property |
| Tboil | 709.13 | K | Joback Calculated Property |
| Tc | 923.81 | K | Joback Calculated Property |
| Tfus | 437.14 | K | Joback Calculated Property |
| Vc | 0.533 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.43; 407.92] | J/mol×K | [709.13; 923.81] | 
|
| Cp,gas | 362.43 | J/mol×K | 709.13 | Joback Calculated Property |
| Cp,gas | 371.56 | J/mol×K | 744.91 | Joback Calculated Property |
| Cp,gas | 380.00 | J/mol×K | 780.69 | Joback Calculated Property |
| Cp,gas | 387.81 | J/mol×K | 816.47 | Joback Calculated Property |
| Cp,gas | 395.03 | J/mol×K | 852.25 | Joback Calculated Property |
| Cp,gas | 401.72 | J/mol×K | 888.03 | Joback Calculated Property |
| Cp,gas | 407.92 | J/mol×K | 923.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(phenylcarbamoyl)prop-2-enoic acid.
Sources
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