- InChI
- InChI=1S/C17H27NO2/c1-5-13(3)11-18-16-10-8-7-9-15(16)17(19)20-12-14(4)6-2/h7-10,13-14,18H,5-6,11-12H2,1-4H3
- InChI Key
- LEEXSMINMBYOHA-UHFFFAOYSA-N
- Formula
- C17H27NO2
- SMILES
- CCC(C)CNc1ccccc1C(=O)OCC(C)CC
- Molecular Weight1
- 277.40
- 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° | 45.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.19 | kJ/mol | Joback Calculated Property |
| log10WS | -4.59 | Crippen Calculated Property | |
| logPoct/wat | 4.348 | Crippen Calculated Property | |
| McVol | 244.050 | ml/mol | McGowan Calculated Property |
| Pc | 1653.80 | kPa | Joback Calculated Property |
| Inp | [2041.00; 2041.00] |
|
|
| Inp | 2041.00 | NIST | |
| Inp | 2041.00 | NIST | |
| Tboil | 745.60 | K | Joback Calculated Property |
| Tc | 947.13 | K | Joback Calculated Property |
| Tfus | 415.11 | K | Joback Calculated Property |
| Vc | 0.926 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [715.08; 802.91] | J/mol×K | [745.60; 947.13] |
|
| Cp,gas | 715.08 | J/mol×K | 745.60 | Joback Calculated Property |
| Cp,gas | 732.26 | J/mol×K | 779.19 | Joback Calculated Property |
| Cp,gas | 748.38 | J/mol×K | 812.78 | Joback Calculated Property |
| Cp,gas | 763.48 | J/mol×K | 846.36 | Joback Calculated Property |
| Cp,gas | 777.58 | J/mol×K | 879.95 | Joback Calculated Property |
| Cp,gas | 790.71 | J/mol×K | 913.54 | Joback Calculated Property |
| Cp,gas | 802.91 | J/mol×K | 947.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-(2-methylbutyl)amino-, 2-methylbutyl ester.
Sources
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