- InChI
- InChI=1S/C14H27NO4/c1-5-8-12(15-14(17)18-6-2)13(16)19-10-7-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)
- InChI Key
- LDLKTQPBJBFNBN-UHFFFAOYSA-N
- Formula
- C14H27NO4
- SMILES
- CCCC(NC(=O)OCC)C(=O)OCCCC(C)C
- Molecular Weight1
- 273.37
- 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 | 0.7934 | Relay (1.0) Calculated Property | |
| ΔfG° | -316.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -975.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.881 | Crippen Calculated Property | |
| McVol | 232.980 | ml/mol | McGowan Calculated Property |
| Pc | 1678.28 | kPa | Joback Calculated Property |
| Inp | [1630.00; 1630.00] |
|
|
| Inp | 1630.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Tboil | 562.54 | K | Relay (1.0) Calculated Property |
| Tc | 739.99 | K | Relay (1.0) Calculated Property |
| Tfus | 278.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.856 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [681.95; 763.90] | J/mol×K | [721.59; 905.40] |
|
| Cp,gas | 681.95 | J/mol×K | 721.59 | Joback Calculated Property |
| Cp,gas | 697.70 | J/mol×K | 752.23 | Joback Calculated Property |
| Cp,gas | 712.60 | J/mol×K | 782.86 | Joback Calculated Property |
| Cp,gas | 726.66 | J/mol×K | 813.50 | Joback Calculated Property |
| Cp,gas | 739.90 | J/mol×K | 844.13 | Joback Calculated Property |
| Cp,gas | 752.31 | J/mol×K | 874.77 | Joback Calculated Property |
| Cp,gas | 763.90 | J/mol×K | 905.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-ethoxycarbonyl-, isohexyl ester.
Sources
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