- InChI
- InChI=1S/C15H29NO4/c1-6-7-8-9-10-19-13(17)12(2)16-14(18)20-11-15(3,4)5/h12H,6-11H2,1-5H3,(H,16,18)
- InChI Key
- NKUZRLRYPFTVJC-UHFFFAOYSA-N
- Formula
- C15H29NO4
- SMILES
-
CCCCCCOC(=O)C(C)NC(=O)OCC(C)(C
)C - Molecular Weight1
- 287.40
- 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 | 0.8214 | Relay (1.0) Calculated Property | |
| ΔfG° | -302.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1005.88 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.71 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.271 | Crippen Calculated Property | |
| McVol | 247.070 | ml/mol | McGowan Calculated Property |
| Pc | 1567.23 | kPa | Joback Calculated Property |
| Inp | 1846.00 | NIST | |
| Tboil | 560.19 | K | Relay (1.0) Calculated Property |
| Tc | 751.61 | K | Relay (1.0) Calculated Property |
| Tfus | 320.56 | K | Relay (1.0) Calculated Property |
| Vc | 0.930 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [739.80; 823.44] | J/mol×K | [741.68; 929.19] | 
|
| Cp,gas | 739.80 | J/mol×K | 741.68 | Joback Calculated Property |
| Cp,gas | 755.98 | J/mol×K | 772.93 | Joback Calculated Property |
| Cp,gas | 771.24 | J/mol×K | 804.18 | Joback Calculated Property |
| Cp,gas | 785.59 | J/mol×K | 835.43 | Joback Calculated Property |
| Cp,gas | 799.06 | J/mol×K | 866.69 | Joback Calculated Property |
| Cp,gas | 811.67 | J/mol×K | 897.94 | Joback Calculated Property |
| Cp,gas | 823.44 | J/mol×K | 929.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-neopentyloxycarbonyl-, hexyl ester.
Sources
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