- InChI
- InChI=1S/C12H19NO4/c1-4-7-10(11(14)16-8-5-2)13-12(15)17-9-6-3/h5-6,10H,2-4,7-9H2,1H3,(H,13,15)
- InChI Key
- AARSMYVFHVHAGU-UHFFFAOYSA-N
- Formula
- C12H19NO4
- SMILES
- C=CCOC(=O)NC(CCC)C(=O)OCC=C
- Molecular Weight1
- 241.28
- 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 | 0.6843 | Relay (1.0) Calculated Property | |
| ΔfG° | -155.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.796 | Crippen Calculated Property | |
| McVol | 196.200 | ml/mol | McGowan Calculated Property |
| Pc | 2117.78 | kPa | Joback Calculated Property |
| Inp | 1537.00 | NIST | |
| Tboil | 556.52 | K | Relay (1.0) Calculated Property |
| Tc | 737.53 | K | Relay (1.0) Calculated Property |
| Tfus | 274.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.670 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.95; 596.45] | J/mol×K | [669.63; 857.27] | 
|
| Cp,gas | 525.95 | J/mol×K | 669.63 | Joback Calculated Property |
| Cp,gas | 539.45 | J/mol×K | 700.90 | Joback Calculated Property |
| Cp,gas | 552.24 | J/mol×K | 732.18 | Joback Calculated Property |
| Cp,gas | 564.33 | J/mol×K | 763.45 | Joback Calculated Property |
| Cp,gas | 575.72 | J/mol×K | 794.72 | Joback Calculated Property |
| Cp,gas | 586.43 | J/mol×K | 825.99 | Joback Calculated Property |
| Cp,gas | 596.45 | J/mol×K | 857.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-allyloxycarbonyl-, allyl ester.
Sources
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