- InChI
- InChI=1S/C16H22FNO3/c1-4-5-10-21-16(20)14(11(2)3)18-15(19)12-6-8-13(17)9-7-12/h6-9,11,14H,4-5,10H2,1-3H3,(H,18,19)
- InChI Key
- PUYJVTRCPJHKLL-UHFFFAOYSA-N
- Formula
- C16H22FNO3
- SMILES
-
CCCCOC(=O)C(NC(=O)c1ccc(F)cc1)
C(C)C - Molecular Weight1
- 295.35
- 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 | 0.7362 | Relay (1.0) Calculated Property | |
| ΔfG° | -286.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -792.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.923 | Crippen Calculated Property | |
| McVol | 233.300 | ml/mol | McGowan Calculated Property |
| Pc | 1818.50 | kPa | Joback Calculated Property |
| Inp | [2051.00; 2051.00] |
|
|
| Inp | 2051.00 | NIST | |
| Inp | 2051.00 | NIST | |
| Tboil | 596.35 | K | Relay (1.0) Calculated Property |
| Tc | 811.16 | K | Relay (1.0) Calculated Property |
| Tfus | 348.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.826 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [685.64; 759.07] | J/mol×K | [775.86; 979.00] |
|
| Cp,gas | 685.64 | J/mol×K | 775.86 | Joback Calculated Property |
| Cp,gas | 700.29 | J/mol×K | 809.72 | Joback Calculated Property |
| Cp,gas | 713.94 | J/mol×K | 843.57 | Joback Calculated Property |
| Cp,gas | 726.61 | J/mol×K | 877.43 | Joback Calculated Property |
| Cp,gas | 738.34 | J/mol×K | 911.29 | Joback Calculated Property |
| Cp,gas | 749.15 | J/mol×K | 945.14 | Joback Calculated Property |
| Cp,gas | 759.07 | J/mol×K | 979.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, butyl ester.
Sources
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