- InChI
- InChI=1S/C16H31NO4/c1-6-7-8-9-10-11-20-14(18)13(2)17-15(19)21-12-16(3,4)5/h13H,6-12H2,1-5H3,(H,17,19)
- InChI Key
- LNOCTUQYKQZVRP-UHFFFAOYSA-N
- Formula
- C16H31NO4
- SMILES
-
CCCCCCCOC(=O)C(C)NC(=O)OCC(C)(
C)C - Molecular Weight1
- 301.42
- 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 | 0.8589 | Relay (1.0) Calculated Property | |
| ΔfG° | -294.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1025.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.19 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.661 | Crippen Calculated Property | |
| McVol | 261.160 | ml/mol | McGowan Calculated Property |
| Pc | 1454.57 | kPa | Joback Calculated Property |
| Inp | 1941.00 | NIST | |
| Tboil | 569.50 | K | Relay (1.0) Calculated Property |
| Tc | 762.28 | K | Relay (1.0) Calculated Property |
| Tfus | 323.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.985 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [796.98; 882.06] | J/mol×K | [764.56; 952.13] | 
|
| Cp,gas | 796.98 | J/mol×K | 764.56 | Joback Calculated Property |
| Cp,gas | 813.48 | J/mol×K | 795.82 | Joback Calculated Property |
| Cp,gas | 829.02 | J/mol×K | 827.08 | Joback Calculated Property |
| Cp,gas | 843.63 | J/mol×K | 858.34 | Joback Calculated Property |
| Cp,gas | 857.32 | J/mol×K | 889.61 | Joback Calculated Property |
| Cp,gas | 870.12 | J/mol×K | 920.87 | Joback Calculated Property |
| Cp,gas | 882.06 | J/mol×K | 952.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-neopentyloxycarbonyl-, heptyl ester.
Sources
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