- InChI
- InChI=1S/C17H31NO3/c1-4-5-12-21-17(20)16(13(2)3)18-15(19)11-10-14-8-6-7-9-14/h13-14,16H,4-12H2,1-3H3,(H,18,19)
- InChI Key
- JLGZFRVLJPBFFM-UHFFFAOYSA-N
- Formula
- C17H31NO3
- SMILES
-
CCCCOC(=O)C(NC(=O)CCC1CCCC1)C(
C)C - Molecular Weight1
- 297.43
- 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 | 0.7556 | Relay (1.0) Calculated Property | |
| ΔfG° | -149.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -819.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.441 | Crippen Calculated Property | |
| McVol | 258.520 | ml/mol | McGowan Calculated Property |
| Pc | 1559.81 | kPa | Joback Calculated Property |
| Inp | [2141.00; 2141.00] |
|
|
| Inp | 2141.00 | NIST | |
| Inp | 2141.00 | NIST | |
| Tboil | 598.55 | K | Relay (1.0) Calculated Property |
| Tc | 813.72 | K | Relay (1.0) Calculated Property |
| Tfus | 313.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.926 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [815.94; 907.62] | J/mol×K | [783.09; 981.74] |
|
| Cp,gas | 815.94 | J/mol×K | 783.09 | Joback Calculated Property |
| Cp,gas | 833.98 | J/mol×K | 816.20 | Joback Calculated Property |
| Cp,gas | 850.87 | J/mol×K | 849.31 | Joback Calculated Property |
| Cp,gas | 866.64 | J/mol×K | 882.42 | Joback Calculated Property |
| Cp,gas | 881.33 | J/mol×K | 915.53 | Joback Calculated Property |
| Cp,gas | 894.98 | J/mol×K | 948.64 | Joback Calculated Property |
| Cp,gas | 907.62 | J/mol×K | 981.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3-cyclopentylpropionyl)-, butyl ester.
Sources
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