- InChI
- InChI=1S/C10H19NO3/c1-5-6-8(12)11-9(7(2)3)10(13)14-4/h7,9H,5-6H2,1-4H3,(H,11,12)
- InChI Key
- LQGACXLVKKUGID-UHFFFAOYSA-N
- Formula
- C10H19NO3
- SMILES
- CCCC(=O)NC(C(=O)OC)C(C)C
- Molecular Weight1
- 201.26
- 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 | 0.5862 | Relay (1.0) Calculated Property | |
| ΔfG° | -245.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -698.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.100 | Crippen Calculated Property | |
| McVol | 170.750 | ml/mol | McGowan Calculated Property |
| Pc | 2402.92 | kPa | Joback Calculated Property |
| Inp | [1380.00; 1380.00] |
|
|
| Inp | 1380.00 | NIST | |
| Inp | 1380.00 | NIST | |
| Tboil | 499.23 | K | Relay (1.0) Calculated Property |
| Tc | 696.11 | K | Relay (1.0) Calculated Property |
| Tfus | 320.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.605 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [442.48; 516.20] | J/mol×K | [607.65; 797.00] |
|
| Cp,gas | 442.48 | J/mol×K | 607.65 | Joback Calculated Property |
| Cp,gas | 456.44 | J/mol×K | 639.21 | Joback Calculated Property |
| Cp,gas | 469.72 | J/mol×K | 670.77 | Joback Calculated Property |
| Cp,gas | 482.33 | J/mol×K | 702.32 | Joback Calculated Property |
| Cp,gas | 494.27 | J/mol×K | 733.88 | Joback Calculated Property |
| Cp,gas | 505.56 | J/mol×K | 765.44 | Joback Calculated Property |
| Cp,gas | 516.20 | J/mol×K | 797.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, N-butyryl-, methyl ester.
Sources
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