- InChI
- InChI=1S/C14H25NO4/c1-3-5-6-7-8-12-18-13(16)9-10-15-14(17)19-11-4-2/h4H,2-3,5-12H2,1H3,(H,15,17)
- InChI Key
- RCTAKIGNHOORQU-UHFFFAOYSA-N
- Formula
- C14H25NO4
- SMILES
- C=CCOC(=O)NCCC(=O)OCCCCCCC
- Molecular Weight1
- 271.35
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -223.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -642.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.84 | kJ/mol | Joback Calculated Property |
| log10WS | -3.43 | Crippen Calculated Property | |
| logPoct/wat | 2.802 | Crippen Calculated Property | |
| McVol | 228.680 | ml/mol | McGowan Calculated Property |
| Pc | 1714.61 | kPa | Joback Calculated Property |
| Inp | 1955.00 | NIST | |
| Tboil | 719.15 | K | Joback Calculated Property |
| Tc | 900.53 | K | Joback Calculated Property |
| Tfus | 442.76 | K | Joback Calculated Property |
| Vc | 0.883 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [656.43; 733.85] | J/mol×K | [719.15; 900.53] | 
|
| Cp,gas | 656.43 | J/mol×K | 719.15 | Joback Calculated Property |
| Cp,gas | 671.24 | J/mol×K | 749.38 | Joback Calculated Property |
| Cp,gas | 685.28 | J/mol×K | 779.61 | Joback Calculated Property |
| Cp,gas | 698.55 | J/mol×K | 809.84 | Joback Calculated Property |
| Cp,gas | 711.07 | J/mol×K | 840.07 | Joback Calculated Property |
| Cp,gas | 722.83 | J/mol×K | 870.30 | Joback Calculated Property |
| Cp,gas | 733.85 | J/mol×K | 900.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Alanine, N-allyloxycarbonyl-, heptyl ester.
Sources
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