- InChI
- InChI=1S/C13H23NO4/c1-5-7-11(12(15)18-9-10(3)4)14-13(16)17-8-6-2/h6,10-11H,2,5,7-9H2,1,3-4H3,(H,14,16)
- InChI Key
- AMQSWXUBQPWHII-UHFFFAOYSA-N
- Formula
- C13H23NO4
- SMILES
- C=CCOC(=O)NC(CCC)C(=O)OCC(C)C
- Molecular Weight1
- 257.33
- 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° | -236.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.267 | Crippen Calculated Property | |
| McVol | 214.590 | ml/mol | McGowan Calculated Property |
| Pc | 1885.44 | kPa | Joback Calculated Property |
| Inp | [1558.00; 1558.00] |
|
|
| Inp | 1558.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Tboil | 695.39 | K | Joback Calculated Property |
| Tc | 882.01 | K | Joback Calculated Property |
| Tfus | 401.49 | K | Joback Calculated Property |
| Vc | 0.816 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.83; 679.87] | J/mol×K | [695.39; 882.01] |
|
| Cp,gas | 602.83 | J/mol×K | 695.39 | Joback Calculated Property |
| Cp,gas | 617.62 | J/mol×K | 726.49 | Joback Calculated Property |
| Cp,gas | 631.62 | J/mol×K | 757.60 | Joback Calculated Property |
| Cp,gas | 644.84 | J/mol×K | 788.70 | Joback Calculated Property |
| Cp,gas | 657.28 | J/mol×K | 819.80 | Joback Calculated Property |
| Cp,gas | 668.96 | J/mol×K | 850.91 | Joback Calculated Property |
| Cp,gas | 679.87 | J/mol×K | 882.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-allyloxycarbonyl-, isobutyl ester.
Sources
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