- InChI
- InChI=1S/C11H13NO3/c1-12(8-10(13)15-2)11(14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
- InChI Key
- VJKASHDUZIYFTQ-UHFFFAOYSA-N
- Formula
- C11H13NO3
- SMILES
- COC(=O)CN(C)C(=O)c1ccccc1
- Molecular Weight1
- 207.23
- CAS
- 71533-21-6
- Other Names
-
- Hippuric acid di-methyl derivative
- 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° | -97.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -323.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.30 | kJ/mol | Joback Calculated Property |
| log10WS | -1.32 | Crippen Calculated Property | |
| logPoct/wat | 0.932 | Crippen Calculated Property | |
| McVol | 161.080 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Inp | 1614.00 | NIST | |
| Tboil | 620.36 | K | Joback Calculated Property |
| Tc | 834.16 | K | Joback Calculated Property |
| Tfus | 394.71 | K | Joback Calculated Property |
| Vc | 0.592 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.97; 468.58] | J/mol×K | [620.36; 834.16] | 
|
| Cp,gas | 399.97 | J/mol×K | 620.36 | Joback Calculated Property |
| Cp,gas | 413.56 | J/mol×K | 655.99 | Joback Calculated Property |
| Cp,gas | 426.24 | J/mol×K | 691.63 | Joback Calculated Property |
| Cp,gas | 438.06 | J/mol×K | 727.26 | Joback Calculated Property |
| Cp,gas | 449.03 | J/mol×K | 762.90 | Joback Calculated Property |
| Cp,gas | 459.20 | J/mol×K | 798.53 | Joback Calculated Property |
| Cp,gas | 468.58 | J/mol×K | 834.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hippuric acid N,O-d-methyl derivative.
Sources
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