- InChI
- InChI=1S/C10H11NO4/c1-15-9(13)6-11-10(14)7-2-4-8(12)5-3-7/h2-5,12H,6H2,1H3,(H,11,14)
- InChI Key
- RNPKFTDQICBOQY-UHFFFAOYSA-N
- Formula
- C10H11NO4
- SMILES
- COC(=O)CNC(=O)c1ccc(O)cc1
- Molecular Weight1
- 209.20
- 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° | -282.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.48 | kJ/mol | Joback Calculated Property |
| log10WS | -1.06 | Crippen Calculated Property | |
| logPoct/wat | 0.295 | Crippen Calculated Property | |
| McVol | 152.860 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Inp | [2027.00; 2027.00] |
|
|
| Inp | 2027.00 | NIST | |
| Inp | 2027.00 | NIST | |
| Tboil | 715.83 | K | Joback Calculated Property |
| Tc | 943.94 | K | Joback Calculated Property |
| Tfus | 515.35 | K | Joback Calculated Property |
| Vc | 0.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [408.23; 461.98] | J/mol×K | [715.83; 943.94] |
|
| Cp,gas | 408.23 | J/mol×K | 715.83 | Joback Calculated Property |
| Cp,gas | 418.75 | J/mol×K | 753.85 | Joback Calculated Property |
| Cp,gas | 428.55 | J/mol×K | 791.87 | Joback Calculated Property |
| Cp,gas | 437.71 | J/mol×K | 829.89 | Joback Calculated Property |
| Cp,gas | 446.29 | J/mol×K | 867.91 | Joback Calculated Property |
| Cp,gas | 454.36 | J/mol×K | 905.93 | Joback Calculated Property |
| Cp,gas | 461.98 | J/mol×K | 943.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-Hydroxyhippuric acid, methyl ester.
Sources
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