- InChI
- InChI=1S/C18H26FNO3/c1-4-5-6-7-12-23-18(22)16(13(2)3)20-17(21)14-8-10-15(19)11-9-14/h8-11,13,16H,4-7,12H2,1-3H3,(H,20,21)
- InChI Key
- FTDAJLFJNNUSNO-UHFFFAOYSA-N
- Formula
- C18H26FNO3
- SMILES
-
CCCCCCOC(=O)C(NC(=O)c1ccc(F)cc
1)C(C)C - Molecular Weight1
- 323.40
- 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 | 0.8169 | Relay (1.0) Calculated Property | |
| ΔfG° | -269.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -831.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.704 | Crippen Calculated Property | |
| McVol | 261.480 | ml/mol | McGowan Calculated Property |
| Pc | 1553.67 | kPa | Joback Calculated Property |
| Inp | [2238.00; 2238.00] |
|
|
| Inp | 2238.00 | NIST | |
| Inp | 2238.00 | NIST | |
| Tboil | 612.91 | K | Relay (1.0) Calculated Property |
| Tc | 833.51 | K | Relay (1.0) Calculated Property |
| Tfus | 355.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.934 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.24; 874.96] | J/mol×K | [821.62; 1023.37] |
|
| Cp,gas | 799.24 | J/mol×K | 821.62 | Joback Calculated Property |
| Cp,gas | 814.40 | J/mol×K | 855.24 | Joback Calculated Property |
| Cp,gas | 828.50 | J/mol×K | 888.87 | Joback Calculated Property |
| Cp,gas | 841.57 | J/mol×K | 922.49 | Joback Calculated Property |
| Cp,gas | 853.65 | J/mol×K | 956.12 | Joback Calculated Property |
| Cp,gas | 864.77 | J/mol×K | 989.74 | Joback Calculated Property |
| Cp,gas | 874.96 | J/mol×K | 1023.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, hexyl ester.
Sources
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