- InChI
- InChI=1S/C19H37NO4/c1-6-7-8-9-10-11-12-13-14-23-17(21)16(2)20-18(22)24-15-19(3,4)5/h16H,6-15H2,1-5H3,(H,20,22)
- InChI Key
- XHJBKIPBZAGJJC-UHFFFAOYSA-N
- Formula
- C19H37NO4
- SMILES
-
CCCCCCCCCCOC(=O)C(C)NC(=O)OCC(
C)(C)C - Molecular Weight1
- 343.50
- 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 | 0.9679 | Relay (1.0) Calculated Property | |
| ΔfG° | -268.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1084.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.15 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.831 | Crippen Calculated Property | |
| McVol | 303.430 | ml/mol | McGowan Calculated Property |
| Pc | 1180.90 | kPa | Joback Calculated Property |
| Inp | [2212.00; 2212.00] |
|
|
| Inp | 2212.00 | NIST | |
| Inp | 2212.00 | NIST | |
| Tboil | 594.24 | K | Relay (1.0) Calculated Property |
| Tc | 791.90 | K | Relay (1.0) Calculated Property |
| Tfus | 332.09 | K | Relay (1.0) Calculated Property |
| Vc | 1.152 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [974.04; 1062.94] | J/mol×K | [833.20; 1024.71] |
|
| Cp,gas | 974.04 | J/mol×K | 833.20 | Joback Calculated Property |
| Cp,gas | 991.47 | J/mol×K | 865.12 | Joback Calculated Property |
| Cp,gas | 1007.82 | J/mol×K | 897.04 | Joback Calculated Property |
| Cp,gas | 1023.10 | J/mol×K | 928.95 | Joback Calculated Property |
| Cp,gas | 1037.36 | J/mol×K | 960.87 | Joback Calculated Property |
| Cp,gas | 1050.63 | J/mol×K | 992.79 | Joback Calculated Property |
| Cp,gas | 1062.94 | J/mol×K | 1024.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-neopentyloxycarbonyl-, decyl ester.
Sources
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