- InChI
- InChI=1S/C15H29NO4/c1-5-7-8-10-19-14(17)13(9-6-2)16-15(18)20-11-12(3)4/h12-13H,5-11H2,1-4H3,(H,16,18)
- InChI Key
- QQLUMINGEMLSLV-UHFFFAOYSA-N
- Formula
- C15H29NO4
- SMILES
- CCCCCOC(=O)C(CCC)NC(=O)OCC(C)C
- Molecular Weight1
- 287.40
- 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° | -307.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -799.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.96 | kJ/mol | Joback Calculated Property |
| log10WS | -3.86 | Crippen Calculated Property | |
| logPoct/wat | 3.271 | Crippen Calculated Property | |
| McVol | 247.070 | ml/mol | McGowan Calculated Property |
| Pc | 1553.67 | kPa | Joback Calculated Property |
| Inp | 1706.00 | NIST | |
| Tboil | 744.47 | K | Joback Calculated Property |
| Tc | 928.33 | K | Joback Calculated Property |
| Tfus | 425.79 | K | Joback Calculated Property |
| Vc | 0.947 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [738.37; 821.97] | J/mol×K | [744.47; 928.33] | 
|
| Cp,gas | 738.37 | J/mol×K | 744.47 | Joback Calculated Property |
| Cp,gas | 754.49 | J/mol×K | 775.11 | Joback Calculated Property |
| Cp,gas | 769.73 | J/mol×K | 805.76 | Joback Calculated Property |
| Cp,gas | 784.09 | J/mol×K | 836.40 | Joback Calculated Property |
| Cp,gas | 797.58 | J/mol×K | 867.04 | Joback Calculated Property |
| Cp,gas | 810.20 | J/mol×K | 897.69 | Joback Calculated Property |
| Cp,gas | 821.97 | J/mol×K | 928.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Norvaline, N-isobutoxycarbonyl-, pentyl ester.
Sources
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