- InChI
- InChI=1S/C16H31NO4/c1-4-6-8-9-10-11-13-20-15(18)14(3)17-16(19)21-12-7-5-2/h14H,4-13H2,1-3H3,(H,17,19)
- InChI Key
- SNAUXJXTALTNGV-UHFFFAOYSA-N
- Formula
- C16H31NO4
- SMILES
- CCCCCCCCOC(=O)C(C)NC(=O)OCCCC
- 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 | 0.9209 | Relay (1.0) Calculated Property | |
| ΔfG° | -297.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -995.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.00 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.805 | Crippen Calculated Property | |
| McVol | 261.160 | ml/mol | McGowan Calculated Property |
| Pc | 1433.72 | kPa | Joback Calculated Property |
| Inp | [2046.00; 2046.00] |
|
|
| Inp | 2046.00 | NIST | |
| Inp | 2046.00 | NIST | |
| Tboil | 573.59 | K | Relay (1.0) Calculated Property |
| Tc | 774.68 | K | Relay (1.0) Calculated Property |
| Tfus | 286.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.991 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [795.32; 879.84] | J/mol×K | [767.79; 950.65] |
|
| Cp,gas | 795.32 | J/mol×K | 767.79 | Joback Calculated Property |
| Cp,gas | 811.65 | J/mol×K | 798.27 | Joback Calculated Property |
| Cp,gas | 827.08 | J/mol×K | 828.74 | Joback Calculated Property |
| Cp,gas | 841.60 | J/mol×K | 859.22 | Joback Calculated Property |
| Cp,gas | 855.22 | J/mol×K | 889.70 | Joback Calculated Property |
| Cp,gas | 867.97 | J/mol×K | 920.17 | Joback Calculated Property |
| Cp,gas | 879.84 | J/mol×K | 950.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-butoxycarbonyl-, octyl ester.
Sources
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