- InChI
- InChI=1S/C20H39NO4/c1-4-6-8-9-10-11-12-13-14-15-17-24-19(22)18(3)21-20(23)25-16-7-5-2/h18H,4-17H2,1-3H3,(H,21,23)
- InChI Key
- XORTWTIOWWCJLX-UHFFFAOYSA-N
- Formula
- C20H39NO4
- SMILES
-
CCCCCCCCCCCCOC(=O)C(C)NC(=O)OC
CCC - Molecular Weight1
- 357.53
- 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 | 1.0623 | Relay (1.0) Calculated Property | |
| ΔfG° | -263.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1077.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.365 | Crippen Calculated Property | |
| McVol | 317.520 | ml/mol | McGowan Calculated Property |
| Pc | 1092.82 | kPa | Joback Calculated Property |
| Inp | 2415.00 | NIST | |
| Tboil | 602.96 | K | Relay (1.0) Calculated Property |
| Tc | 810.97 | K | Relay (1.0) Calculated Property |
| Tfus | 306.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.212 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1034.07; 1124.12] | J/mol×K | [859.31; 1052.56] | 
|
| Cp,gas | 1034.07 | J/mol×K | 859.31 | Joback Calculated Property |
| Cp,gas | 1051.93 | J/mol×K | 891.52 | Joback Calculated Property |
| Cp,gas | 1068.63 | J/mol×K | 923.73 | Joback Calculated Property |
| Cp,gas | 1084.17 | J/mol×K | 955.93 | Joback Calculated Property |
| Cp,gas | 1098.59 | J/mol×K | 988.14 | Joback Calculated Property |
| Cp,gas | 1111.90 | J/mol×K | 1020.35 | Joback Calculated Property |
| Cp,gas | 1124.12 | J/mol×K | 1052.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-butoxycarbonyl-, dodecyl ester.
Sources
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