- InChI
- InChI=1S/C17H29NO4/c1-4-6-7-8-9-10-11-12-14-21-16(19)15(3)18-17(20)22-13-5-2/h2,15H,4,6-14H2,1,3H3,(H,18,20)
- InChI Key
- XLFRZGAAUMANDM-UHFFFAOYSA-N
- Formula
- C17H29NO4
- SMILES
-
C#CCOC(=O)NC(C)C(=O)OCCCCCCCCC
C - Molecular Weight1
- 311.42
- 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 | 0.8782 | Relay (1.0) Calculated Property | |
| ΔfG° | -65.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -753.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.418 | Crippen Calculated Property | |
| McVol | 266.650 | ml/mol | McGowan Calculated Property |
| Pc | 1491.89 | kPa | Joback Calculated Property |
| Inp | [2149.00; 2149.00] |
|
|
| Inp | 2149.00 | NIST | |
| Inp | 2149.00 | NIST | |
| Tboil | 600.98 | K | Relay (1.0) Calculated Property |
| Tc | 797.27 | K | Relay (1.0) Calculated Property |
| Tfus | 321.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.967 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.85; 880.80] | J/mol×K | [780.79; 969.01] |
|
| Cp,gas | 799.85 | J/mol×K | 780.79 | Joback Calculated Property |
| Cp,gas | 815.57 | J/mol×K | 812.16 | Joback Calculated Property |
| Cp,gas | 830.38 | J/mol×K | 843.53 | Joback Calculated Property |
| Cp,gas | 844.29 | J/mol×K | 874.90 | Joback Calculated Property |
| Cp,gas | 857.32 | J/mol×K | 906.27 | Joback Calculated Property |
| Cp,gas | 869.49 | J/mol×K | 937.64 | Joback Calculated Property |
| Cp,gas | 880.80 | J/mol×K | 969.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-propargyloxycarbonyl-, decyl ester.
Sources
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