- InChI
- InChI=1S/C15H23NO2/c1-11(2)9-16-14-7-5-6-13(8-14)15(17)18-10-12(3)4/h5-8,11-12,16H,9-10H2,1-4H3
- InChI Key
- DSEMMODTCBEYPS-UHFFFAOYSA-N
- Formula
- C15H23NO2
- SMILES
- CC(C)CNc1cccc(C(=O)OCC(C)C)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 | 0.7294 | Relay (1.0) Calculated Property | |
| ΔfG° | 28.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.567 | Crippen Calculated Property | |
| McVol | 215.870 | ml/mol | McGowan Calculated Property |
| Pc | 1945.79 | kPa | Joback Calculated Property |
| Inp | 1965.00 | NIST | |
| Tboil | 602.18 | K | Relay (1.0) Calculated Property |
| Tc | 804.31 | K | Relay (1.0) Calculated Property |
| Tfus | 311.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.783 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [603.89; 689.00] | J/mol×K | [699.84; 905.60] | 
|
| Cp,gas | 603.89 | J/mol×K | 699.84 | Joback Calculated Property |
| Cp,gas | 620.52 | J/mol×K | 734.13 | Joback Calculated Property |
| Cp,gas | 636.13 | J/mol×K | 768.43 | Joback Calculated Property |
| Cp,gas | 650.76 | J/mol×K | 802.72 | Joback Calculated Property |
| Cp,gas | 664.43 | J/mol×K | 837.01 | Joback Calculated Property |
| Cp,gas | 677.17 | J/mol×K | 871.31 | Joback Calculated Property |
| Cp,gas | 689.00 | J/mol×K | 905.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 3-(2-methylpropyl)amino-, 2-methylpropyl ester.
Sources
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