- InChI
- InChI=1S/C10H13NO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h3-6H,2,7,11H2,1H3
- InChI Key
- QYGHESHPPSSONP-UHFFFAOYSA-N
- Formula
- C10H13NO2
- SMILES
- CCCOC(=O)c1ccccc1N
- Molecular Weight1
- 179.22
- CAS
- 30954-98-4
- Other Names
-
- propyl anthranilate
- propyl 2-aminobenzoate
- 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.
- I : 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° | -31.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -235.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.59 | kJ/mol | Joback Calculated Property |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 1.836 | Crippen Calculated Property | |
| McVol | 145.420 | ml/mol | McGowan Calculated Property |
| Pc | 3231.98 | kPa | Joback Calculated Property |
| Inp | [1500.00; 1538.00] |
|
|
| Inp | 1538.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1538.00 | NIST | |
| I | 2320.00 | NIST | |
| Tboil | 608.68 | K | Joback Calculated Property |
| Tc | 830.79 | K | Joback Calculated Property |
| Tfus | 396.82 | K | Joback Calculated Property |
| Vc | 0.540 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.09; 423.76] | J/mol×K | [608.68; 830.79] |
|
| Cp,gas | 357.09 | J/mol×K | 608.68 | Joback Calculated Property |
| Cp,gas | 370.13 | J/mol×K | 645.70 | Joback Calculated Property |
| Cp,gas | 382.38 | J/mol×K | 682.72 | Joback Calculated Property |
| Cp,gas | 393.85 | J/mol×K | 719.74 | Joback Calculated Property |
| Cp,gas | 404.56 | J/mol×K | 756.76 | Joback Calculated Property |
| Cp,gas | 414.52 | J/mol×K | 793.78 | Joback Calculated Property |
| Cp,gas | 423.76 | J/mol×K | 830.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-amino-, propyl ester.
Sources
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