- InChI
- InChI=1S/C13H25NO4/c1-5-7-11(12(15)17-8-6-2)14-13(16)18-9-10(3)4/h10-11H,5-9H2,1-4H3,(H,14,16)
- InChI Key
- KCJVMQWUIFHMBX-UHFFFAOYSA-N
- Formula
- C13H25NO4
- SMILES
- CCCOC(=O)C(CCC)NC(=O)OCC(C)C
- Molecular Weight1
- 259.34
- 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° | -324.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -758.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.03 | Crippen Calculated Property | |
| logPoct/wat | 2.490 | Crippen Calculated Property | |
| McVol | 218.890 | ml/mol | McGowan Calculated Property |
| Pc | 1818.50 | kPa | Joback Calculated Property |
| Inp | 1558.00 | NIST | |
| Tboil | 698.71 | K | Joback Calculated Property |
| Tc | 882.99 | K | Joback Calculated Property |
| Tfus | 403.25 | K | Joback Calculated Property |
| Vc | 0.835 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [626.67; 706.75] | J/mol×K | [698.71; 882.99] | 
|
| Cp,gas | 626.67 | J/mol×K | 698.71 | Joback Calculated Property |
| Cp,gas | 642.00 | J/mol×K | 729.42 | Joback Calculated Property |
| Cp,gas | 656.53 | J/mol×K | 760.14 | Joback Calculated Property |
| Cp,gas | 670.26 | J/mol×K | 790.85 | Joback Calculated Property |
| Cp,gas | 683.21 | J/mol×K | 821.56 | Joback Calculated Property |
| Cp,gas | 695.37 | J/mol×K | 852.27 | Joback Calculated Property |
| Cp,gas | 706.75 | J/mol×K | 882.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-isobutoxycarbonyl-, propyl ester.
Sources
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