- InChI
- InChI=1S/C24H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-23(26)18-17-19-25-24(27)29-21-22(2)3/h22H,4-21H2,1-3H3,(H,25,27)
- InChI Key
- VPFGWXAVWAPCQT-UHFFFAOYSA-N
- Formula
- C24H47NO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCCNC(=O)
OCC(C)C - Molecular Weight1
- 413.63
- Other Names
-
- .gama.-Aminobutyric acid, N-isobutoxycarbonyl-, pentadecyl ester
- 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 | 1.2273 | Relay (1.0) Calculated Property | |
| ΔfG° | -229.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1169.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 123.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.783 | Crippen Calculated Property | |
| McVol | 373.880 | ml/mol | McGowan Calculated Property |
| Pc | 860.49 | kPa | Joback Calculated Property |
| Inp | 3031.00 | NIST | |
| Tboil | 656.83 | K | Relay (1.0) Calculated Property |
| Tc | 844.39 | K | Relay (1.0) Calculated Property |
| Tfus | 306.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.435 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1283.65; 1378.72] | J/mol×K | [950.83; 1168.49] | 
|
| Cp,gas | 1283.65 | J/mol×K | 950.83 | Joback Calculated Property |
| Cp,gas | 1303.36 | J/mol×K | 987.11 | Joback Calculated Property |
| Cp,gas | 1321.47 | J/mol×K | 1023.38 | Joback Calculated Property |
| Cp,gas | 1338.01 | J/mol×K | 1059.66 | Joback Calculated Property |
| Cp,gas | 1353.04 | J/mol×K | 1095.94 | Joback Calculated Property |
| Cp,gas | 1366.59 | J/mol×K | 1132.21 | Joback Calculated Property |
| Cp,gas | 1378.72 | J/mol×K | 1168.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «gamma»-Aminobutyric acid, N-isobutoxycarbonyl-, pentadecyl ester.
Sources
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