- InChI
- InChI=1S/C20H30FNO3/c1-4-5-6-7-8-9-14-25-20(24)18(15(2)3)22-19(23)16-10-12-17(21)13-11-16/h10-13,15,18H,4-9,14H2,1-3H3,(H,22,23)
- InChI Key
- OAQJXTOVVWZRMA-UHFFFAOYSA-N
- Formula
- C20H30FNO3
- SMILES
-
CCCCCCCCOC(=O)C(NC(=O)c1ccc(F)
cc1)C(C)C - Molecular Weight1
- 351.46
- 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 | 0.8982 | Relay (1.0) Calculated Property | |
| ΔfG° | -252.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.484 | Crippen Calculated Property | |
| McVol | 289.660 | ml/mol | McGowan Calculated Property |
| Pc | 1342.74 | kPa | Joback Calculated Property |
| Inp | [2442.00; 2442.00] |
|
|
| Inp | 2442.00 | NIST | |
| Inp | 2442.00 | NIST | |
| Tboil | 627.88 | K | Relay (1.0) Calculated Property |
| Tc | 852.40 | K | Relay (1.0) Calculated Property |
| Tfus | 358.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.043 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [916.27; 993.81] | J/mol×K | [867.38; 1070.37] |
|
| Cp,gas | 916.27 | J/mol×K | 867.38 | Joback Calculated Property |
| Cp,gas | 931.88 | J/mol×K | 901.21 | Joback Calculated Property |
| Cp,gas | 946.37 | J/mol×K | 935.04 | Joback Calculated Property |
| Cp,gas | 959.76 | J/mol×K | 968.87 | Joback Calculated Property |
| Cp,gas | 972.11 | J/mol×K | 1002.70 | Joback Calculated Property |
| Cp,gas | 983.44 | J/mol×K | 1036.54 | Joback Calculated Property |
| Cp,gas | 993.81 | J/mol×K | 1070.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, octyl ester.
Sources
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