- InChI
- InChI=1S/C15H20FNO3/c1-4-9-20-15(19)13(10(2)3)17-14(18)11-5-7-12(16)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,17,18)
- InChI Key
- AINAVOQEOAFYPN-UHFFFAOYSA-N
- Formula
- C15H20FNO3
- SMILES
-
CCCOC(=O)C(NC(=O)c1ccc(F)cc1)C
(C)C - Molecular Weight1
- 281.32
- 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 | 0.6928 | Relay (1.0) Calculated Property | |
| ΔfG° | -294.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -771.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.31 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.533 | Crippen Calculated Property | |
| McVol | 219.210 | ml/mol | McGowan Calculated Property |
| Pc | 1977.07 | kPa | Joback Calculated Property |
| Inp | [1961.00; 1961.00] |
|
|
| Inp | 1961.00 | NIST | |
| Inp | 1961.00 | NIST | |
| Tboil | 589.32 | K | Relay (1.0) Calculated Property |
| Tc | 799.53 | K | Relay (1.0) Calculated Property |
| Tfus | 356.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.773 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [630.29; 702.30] | J/mol×K | [752.98; 957.68] |
|
| Cp,gas | 630.29 | J/mol×K | 752.98 | Joback Calculated Property |
| Cp,gas | 644.65 | J/mol×K | 787.10 | Joback Calculated Property |
| Cp,gas | 658.03 | J/mol×K | 821.21 | Joback Calculated Property |
| Cp,gas | 670.45 | J/mol×K | 855.33 | Joback Calculated Property |
| Cp,gas | 681.96 | J/mol×K | 889.45 | Joback Calculated Property |
| Cp,gas | 692.56 | J/mol×K | 923.57 | Joback Calculated Property |
| Cp,gas | 702.30 | J/mol×K | 957.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, propyl ester.
Sources
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