- InChI
- InChI=1S/C15H23NO2/c1-3-5-10-16-14-9-7-8-13(12-14)15(17)18-11-6-4-2/h7-9,12,16H,3-6,10-11H2,1-2H3
- InChI Key
- VOPAHYQWXPGOEN-UHFFFAOYSA-N
- Formula
- C15H23NO2
- SMILES
- CCCCNc1cccc(C(=O)OCCCC)c1
- Molecular Weight1
- 249.35
- 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 | 0.7991 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -414.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.855 | Crippen Calculated Property | |
| McVol | 215.870 | ml/mol | McGowan Calculated Property |
| Pc | 1918.62 | kPa | Joback Calculated Property |
| Inp | [2080.00; 2080.00] |
|
|
| Inp | 2080.00 | NIST | |
| Inp | 2080.00 | NIST | |
| Tboil | 610.22 | K | Relay (1.0) Calculated Property |
| Tc | 817.50 | K | Relay (1.0) Calculated Property |
| Tfus | 285.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.792 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.88; 685.70] | J/mol×K | [700.72; 899.86] |
|
| Cp,gas | 602.88 | J/mol×K | 700.72 | Joback Calculated Property |
| Cp,gas | 618.93 | J/mol×K | 733.91 | Joback Calculated Property |
| Cp,gas | 634.05 | J/mol×K | 767.10 | Joback Calculated Property |
| Cp,gas | 648.26 | J/mol×K | 800.29 | Joback Calculated Property |
| Cp,gas | 661.58 | J/mol×K | 833.48 | Joback Calculated Property |
| Cp,gas | 674.06 | J/mol×K | 866.67 | Joback Calculated Property |
| Cp,gas | 685.70 | J/mol×K | 899.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-butylamino-, butyl ester.
Sources
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