- InChI
- InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)
- InChI Key
- UAQVHNZEONHPQG-UHFFFAOYSA-N
- Formula
- C10H11NO3
- SMILES
- CC(NC(=O)c1ccccc1)C(=O)O
- Molecular Weight1
- 193.20
- CAS
- 1205-02-3
- Other Names
-
- Benzoyl-dl-«alpha»-alanine
- Benzoyl-dl-alanine
- dl-N-Benzoylalanine
- DL-Alanine, N-benzoyl-
- Alanine, N-benzoyl-, DL-
- DL-n-Benzoyl-«alpha»-alanine
- Dl-n-benzoyl-alpha-alanine
- 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).
- 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° | -161.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -342.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.35 | kJ/mol | Joback Calculated Property |
| log10WS | -1.86 | Crippen Calculated Property | |
| logPoct/wat | 0.889 | Crippen Calculated Property | |
| McVol | 146.990 | ml/mol | McGowan Calculated Property |
| Pc | 3867.48 | kPa | Joback Calculated Property |
| Tboil | 704.53 | K | Joback Calculated Property |
| Tc | 915.36 | K | Joback Calculated Property |
| Tfus | 427.22 | K | Joback Calculated Property |
| Vc | 0.547 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.05; 436.90] | J/mol×K | [704.53; 915.36] | 
|
| Cp,gas | 387.05 | J/mol×K | 704.53 | Joback Calculated Property |
| Cp,gas | 397.07 | J/mol×K | 739.67 | Joback Calculated Property |
| Cp,gas | 406.36 | J/mol×K | 774.81 | Joback Calculated Property |
| Cp,gas | 414.95 | J/mol×K | 809.95 | Joback Calculated Property |
| Cp,gas | 422.88 | J/mol×K | 845.08 | Joback Calculated Property |
| Cp,gas | 430.19 | J/mol×K | 880.22 | Joback Calculated Property |
| Cp,gas | 436.90 | J/mol×K | 915.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to N-Benzoyl-dl-alanine.
Sources
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