- InChI
- InChI=1S/C19H33NO4/c1-4-6-7-8-9-10-11-12-13-14-16-23-18(21)17(3)20-19(22)24-15-5-2/h2,17H,4,6-16H2,1,3H3,(H,20,22)
- InChI Key
- PRUPDCAVCBPHCS-UHFFFAOYSA-N
- Formula
- C19H33NO4
- SMILES
-
C#CCOC(=O)NC(C)C(=O)OCCCCCCCCC
CCC - Molecular Weight1
- 339.47
- 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 | 0.9505 | Relay (1.0) Calculated Property | |
| ΔfG° | -48.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -795.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.198 | Crippen Calculated Property | |
| McVol | 294.830 | ml/mol | McGowan Calculated Property |
| Pc | 1293.00 | kPa | Joback Calculated Property |
| Inp | 2337.00 | NIST | |
| Tboil | 617.69 | K | Relay (1.0) Calculated Property |
| Tc | 816.35 | K | Relay (1.0) Calculated Property |
| Tfus | 328.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.076 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [916.82; 1000.62] | J/mol×K | [826.55; 1017.57] | 
|
| Cp,gas | 916.82 | J/mol×K | 826.55 | Joback Calculated Property |
| Cp,gas | 933.24 | J/mol×K | 858.39 | Joback Calculated Property |
| Cp,gas | 948.66 | J/mol×K | 890.22 | Joback Calculated Property |
| Cp,gas | 963.08 | J/mol×K | 922.06 | Joback Calculated Property |
| Cp,gas | 976.53 | J/mol×K | 953.90 | Joback Calculated Property |
| Cp,gas | 989.04 | J/mol×K | 985.73 | Joback Calculated Property |
| Cp,gas | 1000.62 | J/mol×K | 1017.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to D-Alanine, N-propargyloxycarbonyl-, dodecyl ester.
Sources
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