- InChI
- InChI=1S/C12H17NO2/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8H,2-3,6,9,13H2,1H3
- InChI Key
- JCKCYPSMCQDSHT-UHFFFAOYSA-N
- Formula
- C12H17NO2
- SMILES
- CCCCCOC(=O)c1ccccc1N
- Molecular Weight1
- 207.27
- CAS
- 30100-15-3
- Other Names
-
- Anthranilic acid, pentyl ester
- Pentyl 2-aminobenzoate
- pentyl anthranilate
- 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° | -14.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -276.96 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.04 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 2.616 | Crippen Calculated Property | |
| McVol | 173.600 | ml/mol | McGowan Calculated Property |
| Pc | 2627.15 | kPa | Joback Calculated Property |
| Inp | [1700.00; 1753.00] |
|
|
| Inp | 1753.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1753.00 | NIST | |
| I | [2510.00; 2510.00] |
|
|
| I | 2510.00 | NIST | |
| I | 2510.00 | NIST | |
| Tboil | 654.44 | K | Joback Calculated Property |
| Tc | 868.94 | K | Joback Calculated Property |
| Tfus | 419.36 | K | Joback Calculated Property |
| Vc | 0.652 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.70; 529.27] | J/mol×K | [654.44; 868.94] |
|
| Cp,gas | 455.70 | J/mol×K | 654.44 | Joback Calculated Property |
| Cp,gas | 470.08 | J/mol×K | 690.19 | Joback Calculated Property |
| Cp,gas | 483.58 | J/mol×K | 725.94 | Joback Calculated Property |
| Cp,gas | 496.23 | J/mol×K | 761.69 | Joback Calculated Property |
| Cp,gas | 508.05 | J/mol×K | 797.44 | Joback Calculated Property |
| Cp,gas | 519.05 | J/mol×K | 833.19 | Joback Calculated Property |
| Cp,gas | 529.27 | J/mol×K | 868.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-amino-, pentyl ester.
Sources
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