- InChI
- InChI=1S/C11H15NO2/c1-2-3-7-14-11(13)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7,12H2,1H3
- InChI Key
- FOFJXIVZCGTINY-UHFFFAOYSA-N
- Formula
- C11H15NO2
- SMILES
- CCCCOC(=O)c1cccc(N)c1
- Molecular Weight1
- 193.24
- 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° | -22.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -256.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.81 | kJ/mol | Joback Calculated Property |
| log10WS | -2.60 | Crippen Calculated Property | |
| logPoct/wat | 2.226 | Crippen Calculated Property | |
| McVol | 159.510 | ml/mol | McGowan Calculated Property |
| Pc | 2906.11 | kPa | Joback Calculated Property |
| Inp | [1773.00; 1773.00] |
|
|
| Inp | 1773.00 | NIST | |
| Inp | 1773.00 | NIST | |
| Tboil | 631.56 | K | Joback Calculated Property |
| Tc | 849.72 | K | Joback Calculated Property |
| Tfus | 408.09 | K | Joback Calculated Property |
| Vc | 0.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [405.64; 476.04] | J/mol×K | [631.56; 849.72] |
|
| Cp,gas | 405.64 | J/mol×K | 631.56 | Joback Calculated Property |
| Cp,gas | 419.40 | J/mol×K | 667.92 | Joback Calculated Property |
| Cp,gas | 432.33 | J/mol×K | 704.28 | Joback Calculated Property |
| Cp,gas | 444.44 | J/mol×K | 740.64 | Joback Calculated Property |
| Cp,gas | 455.75 | J/mol×K | 777.00 | Joback Calculated Property |
| Cp,gas | 466.27 | J/mol×K | 813.36 | Joback Calculated Property |
| Cp,gas | 476.04 | J/mol×K | 849.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-amino-, butyl ester.
Sources
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