- InChI
- InChI=1S/C15H23NO2/c1-2-3-4-5-6-7-12-18-15(17)13-8-10-14(16)11-9-13/h8-11H,2-7,12,16H2,1H3
- InChI Key
- XOEUGELJHSUYGP-UHFFFAOYSA-N
- Formula
- C15H23NO2
- SMILES
- CCCCCCCCOC(=O)c1ccc(N)cc1
- Molecular Weight1
- 249.35
- CAS
- 14309-41-2
- Other Names
-
- octyl-4-aminobenzoate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8606 | Relay (1.0) Calculated Property | |
| ΔfG° | 10.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -434.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.40 | Aq. Solubility Prediction | |
| logPoct/wat | 3.786 | Crippen Calculated Property | |
| McVol | 215.870 | ml/mol | McGowan Calculated Property |
| Pc | 1994.77 | kPa | Joback Calculated Property |
| Inp | [2144.00; 2153.00] |
|
|
| Inp | 2144.00 | NIST | |
| Inp | 2153.00 | NIST | |
| Inp | 2144.00 | NIST | |
| Tboil | 629.42 | K | Relay (1.0) Calculated Property |
| Tc | 819.83 | K | Relay (1.0) Calculated Property |
| Tfus | 345.00 ± 1.00 | K | NIST |
| Vc | 0.799 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.05; 694.46] | J/mol×K | [723.08; 928.76] |
|
| Cp,gas | 614.05 | J/mol×K | 723.08 | Joback Calculated Property |
| Cp,gas | 629.76 | J/mol×K | 757.36 | Joback Calculated Property |
| Cp,gas | 644.51 | J/mol×K | 791.64 | Joback Calculated Property |
| Cp,gas | 658.33 | J/mol×K | 825.92 | Joback Calculated Property |
| Cp,gas | 671.24 | J/mol×K | 860.20 | Joback Calculated Property |
| Cp,gas | 683.28 | J/mol×K | 894.48 | Joback Calculated Property |
| Cp,gas | 694.46 | J/mol×K | 928.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-amino-, octyl ester.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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