- InChI
- InChI=1S/C21H41NO4/c1-4-5-6-7-8-9-10-11-12-13-17-25-20(23)15-14-16-22-21(24)26-18-19(2)3/h19H,4-18H2,1-3H3,(H,22,24)
- InChI Key
- VTRZQLONMROSIK-UHFFFAOYSA-N
- Formula
- C21H41NO4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCNC(=O)OCC
(C)C - Molecular Weight1
- 371.55
- Other Names
-
- .gama.-Aminobutyric acid, N-isobutoxycarbonyl-, dodecyl 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 | 1.1218 | Relay (1.0) Calculated Property | |
| ΔfG° | -254.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1110.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.613 | Crippen Calculated Property | |
| McVol | 331.610 | ml/mol | McGowan Calculated Property |
| Pc | 1026.63 | kPa | Joback Calculated Property |
| Inp | 2651.00 | NIST | |
| Tboil | 636.80 | K | Relay (1.0) Calculated Property |
| Tc | 822.84 | K | Relay (1.0) Calculated Property |
| Tfus | 294.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.269 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1095.61; 1186.95] | J/mol×K | [882.19; 1080.05] | 
|
| Cp,gas | 1095.61 | J/mol×K | 882.19 | Joback Calculated Property |
| Cp,gas | 1113.89 | J/mol×K | 915.17 | Joback Calculated Property |
| Cp,gas | 1130.92 | J/mol×K | 948.14 | Joback Calculated Property |
| Cp,gas | 1146.71 | J/mol×K | 981.12 | Joback Calculated Property |
| Cp,gas | 1161.29 | J/mol×K | 1014.10 | Joback Calculated Property |
| Cp,gas | 1174.70 | J/mol×K | 1047.07 | Joback Calculated Property |
| Cp,gas | 1186.95 | J/mol×K | 1080.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «gamma»-Aminobutyric acid, N-isobutoxycarbonyl-, dodecyl ester.
Sources
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