- InChI
- InChI=1S/C22H37NO2/c1-7-17(4)14-23(15-18(5)8-2)21-13-11-10-12-20(21)22(24)25-16-19(6)9-3/h10-13,17-19H,7-9,14-16H2,1-6H3
- InChI Key
- VZKHLHBSLDPBFO-UHFFFAOYSA-N
- Formula
- C22H37NO2
- SMILES
-
CCC(C)COC(=O)c1ccccc1N(CC(C)CC
)CC(C)CC - Molecular Weight1
- 347.53
- 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° | 106.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.54 | kJ/mol | Joback Calculated Property |
| log10WS | -5.92 | Crippen Calculated Property | |
| logPoct/wat | 5.788 | Crippen Calculated Property | |
| McVol | 314.500 | ml/mol | McGowan Calculated Property |
| Pc | 1152.22 | kPa | Joback Calculated Property |
| Inp | 2126.00 | NIST | |
| Tboil | 821.83 | K | Joback Calculated Property |
| Tc | 1019.18 | K | Joback Calculated Property |
| Tfus | 436.27 | K | Joback Calculated Property |
| Vc | 1.183 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [989.88; 1087.75] | J/mol×K | [821.83; 1019.18] | 
|
| Cp,gas | 989.88 | J/mol×K | 821.83 | Joback Calculated Property |
| Cp,gas | 1009.04 | J/mol×K | 854.72 | Joback Calculated Property |
| Cp,gas | 1027.01 | J/mol×K | 887.61 | Joback Calculated Property |
| Cp,gas | 1043.81 | J/mol×K | 920.51 | Joback Calculated Property |
| Cp,gas | 1059.50 | J/mol×K | 953.40 | Joback Calculated Property |
| Cp,gas | 1074.13 | J/mol×K | 986.29 | Joback Calculated Property |
| Cp,gas | 1087.75 | J/mol×K | 1019.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-di(2-methylbutyl)amino-, 2-methylbutyl ester.
Sources
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