- InChI
- InChI=1S/C10H11NO3/c1-14-9(12)7-11-10(13)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)
- InChI Key
- XTKVNQKOTKPCKM-UHFFFAOYSA-N
- Formula
- C10H11NO3
- SMILES
- COC(=O)CNC(=O)c1ccccc1
- Molecular Weight1
- 193.20
- CAS
- 1205-08-9
- Other Names
-
- Glycine, N-benzoyl-, methyl ester
- Methyl hippurate
- Methyl N-benzoylglycinate
- N-Benzoylglycine methyl ester
- Methyl ester of hippuric acid
- Methyl (benzoylamino)acetate
- Benzoylamino-acetic acid 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° | -127.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -317.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.47 | kJ/mol | Joback Calculated Property |
| log10WS | -1.52 | Crippen Calculated Property | |
| logPoct/wat | 0.589 | Crippen Calculated Property | |
| McVol | 146.990 | ml/mol | McGowan Calculated Property |
| Pc | 3360.64 | kPa | Joback Calculated Property |
| Inp | [1646.00; 1722.20] |
|
|
| Inp | 1646.00 | NIST | |
| Inp | 1715.40 | NIST | |
| Inp | 1720.80 | NIST | |
| Inp | 1722.20 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | 1650.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Inp | 1675.00 | NIST | |
| Tboil | 635.21 | K | Joback Calculated Property |
| Tc | 855.07 | K | Joback Calculated Property |
| Tfus | 403.63 | K | Joback Calculated Property |
| Vc | 0.552 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.30; 424.40] | J/mol×K | [635.21; 855.07] |
|
| Cp,gas | 363.30 | J/mol×K | 635.21 | Joback Calculated Property |
| Cp,gas | 375.49 | J/mol×K | 671.85 | Joback Calculated Property |
| Cp,gas | 386.85 | J/mol×K | 708.50 | Joback Calculated Property |
| Cp,gas | 397.40 | J/mol×K | 745.14 | Joback Calculated Property |
| Cp,gas | 407.16 | J/mol×K | 781.78 | Joback Calculated Property |
| Cp,gas | 416.15 | J/mol×K | 818.42 | Joback Calculated Property |
| Cp,gas | 424.40 | J/mol×K | 855.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hippuric acid, methyl ester.
Sources
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