- InChI
- InChI=1S/C14H18FNO3/c1-4-19-14(18)12(9(2)3)16-13(17)10-5-7-11(15)8-6-10/h5-9,12H,4H2,1-3H3,(H,16,17)
- InChI Key
- FQAVWOBLTQWDDZ-UHFFFAOYSA-N
- Formula
- C14H18FNO3
- SMILES
-
CCOC(=O)C(NC(=O)c1ccc(F)cc1)C(
C)C - Molecular Weight1
- 267.30
- 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 | 0.6429 | Relay (1.0) Calculated Property | |
| ΔfG° | -303.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -759.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.143 | Crippen Calculated Property | |
| McVol | 205.120 | ml/mol | McGowan Calculated Property |
| Pc | 2157.31 | kPa | Joback Calculated Property |
| Inp | [1886.00; 1886.00] |
|
|
| Inp | 1886.00 | NIST | |
| Inp | 1886.00 | NIST | |
| Tboil | 579.36 | K | Relay (1.0) Calculated Property |
| Tc | 792.75 | K | Relay (1.0) Calculated Property |
| Tfus | 367.92 | K | Relay (1.0) Calculated Property |
| Vc | 0.720 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [576.02; 646.33] | J/mol×K | [730.10; 936.88] |
|
| Cp,gas | 576.02 | J/mol×K | 730.10 | Joback Calculated Property |
| Cp,gas | 590.04 | J/mol×K | 764.56 | Joback Calculated Property |
| Cp,gas | 603.10 | J/mol×K | 799.03 | Joback Calculated Property |
| Cp,gas | 615.23 | J/mol×K | 833.49 | Joback Calculated Property |
| Cp,gas | 626.47 | J/mol×K | 867.96 | Joback Calculated Property |
| Cp,gas | 636.83 | J/mol×K | 902.42 | Joback Calculated Property |
| Cp,gas | 646.33 | J/mol×K | 936.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, ethyl ester.
Sources
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