- InChI
- InChI=1S/C11H13NO3/c1-15-11(14)8-12-10(13)7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13)
- InChI Key
- VISLHUSQBAQEBB-UHFFFAOYSA-N
- Formula
- C11H13NO3
- SMILES
- COC(=O)CNC(=O)Cc1ccccc1
- Molecular Weight1
- 207.23
- CAS
- 5259-87-0
- Other Names
-
- Methyl N-(phenylacetyl)glycinate
- N-Phenylacetylglycine methyl ester
- Phenaceturic acid, methyl ester
- Phenylacetylglycine, methyl ester
- 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° | -119.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -337.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.69 | kJ/mol | Joback Calculated Property |
| log10WS | -1.36 | Crippen Calculated Property | |
| logPoct/wat | 0.518 | Crippen Calculated Property | |
| McVol | 161.080 | ml/mol | McGowan Calculated Property |
| Pc | 3015.64 | kPa | Joback Calculated Property |
| Inp | [1694.00; 1767.70] |
|
|
| Inp | 1694.00 | NIST | |
| Inp | 1767.70 | NIST | |
| Tboil | 658.09 | K | Joback Calculated Property |
| Tc | 874.19 | K | Joback Calculated Property |
| Tfus | 414.90 | K | Joback Calculated Property |
| Vc | 0.609 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [412.45; 476.94] | J/mol×K | [658.09; 874.19] |
|
| Cp,gas | 412.45 | J/mol×K | 658.09 | Joback Calculated Property |
| Cp,gas | 425.29 | J/mol×K | 694.11 | Joback Calculated Property |
| Cp,gas | 437.25 | J/mol×K | 730.12 | Joback Calculated Property |
| Cp,gas | 448.38 | J/mol×K | 766.14 | Joback Calculated Property |
| Cp,gas | 458.69 | J/mol×K | 802.16 | Joback Calculated Property |
| Cp,gas | 468.20 | J/mol×K | 838.18 | Joback Calculated Property |
| Cp,gas | 476.94 | J/mol×K | 874.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glycine, N-(phenylacetyl)-, methyl ester.
Sources
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