- InChI
- InChI=1S/C11H11NO3/c1-15-11(14)12-10(13)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,12,13,14)/b8-7+
- InChI Key
- KIVJMEXGGJQCFE-BQYQJAHWSA-N
- Formula
- C11H11NO3
- SMILES
- COC(=O)NC(=O)C=Cc1ccccc1
- Molecular Weight1
- 205.21
- 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).
- Inp : Non-polar retention indices.
- 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° | -39.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -220.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.36 | Crippen Calculated Property | |
| logPoct/wat | 1.582 | Crippen Calculated Property | |
| McVol | 156.780 | ml/mol | McGowan Calculated Property |
| Pc | 3195.54 | kPa | Joback Calculated Property |
| Inp | 2003.00 | NIST | |
| Tboil | 662.25 | K | Joback Calculated Property |
| Tc | 887.04 | K | Joback Calculated Property |
| Tfus | 409.82 | K | Joback Calculated Property |
| Vc | 0.589 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [390.06; 450.58] | J/mol×K | [662.25; 887.04] | 
|
| Cp,gas | 390.06 | J/mol×K | 662.25 | Joback Calculated Property |
| Cp,gas | 402.23 | J/mol×K | 699.72 | Joback Calculated Property |
| Cp,gas | 413.51 | J/mol×K | 737.18 | Joback Calculated Property |
| Cp,gas | 423.95 | J/mol×K | 774.65 | Joback Calculated Property |
| Cp,gas | 433.57 | J/mol×K | 812.11 | Joback Calculated Property |
| Cp,gas | 442.44 | J/mol×K | 849.58 | Joback Calculated Property |
| Cp,gas | 450.58 | J/mol×K | 887.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Phenyl-acryloylamino)-acetic acid methyl ester.
Sources
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