- InChI
- InChI=1S/C21H32FNO3/c1-4-5-6-7-8-9-10-15-26-21(25)19(16(2)3)23-20(24)17-11-13-18(22)14-12-17/h11-14,16,19H,4-10,15H2,1-3H3,(H,23,24)
- InChI Key
- YRAPHIZKDCHGMP-UHFFFAOYSA-N
- Formula
- C21H32FNO3
- SMILES
-
CCCCCCCCCOC(=O)C(NC(=O)c1ccc(F
)cc1)C(C)C - Molecular Weight1
- 365.48
- 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 | 0.9378 | Relay (1.0) Calculated Property | |
| ΔfG° | -244.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -894.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.874 | Crippen Calculated Property | |
| McVol | 303.750 | ml/mol | McGowan Calculated Property |
| Pc | 1253.03 | kPa | Joback Calculated Property |
| Inp | [2541.00; 2541.00] |
|
|
| Inp | 2541.00 | NIST | |
| Inp | 2541.00 | NIST | |
| Tboil | 635.13 | K | Relay (1.0) Calculated Property |
| Tc | 861.06 | K | Relay (1.0) Calculated Property |
| Tfus | 359.75 | K | Relay (1.0) Calculated Property |
| Vc | 1.097 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [975.90; 1054.28] | J/mol×K | [890.26; 1094.98] |
|
| Cp,gas | 975.90 | J/mol×K | 890.26 | Joback Calculated Property |
| Cp,gas | 991.74 | J/mol×K | 924.38 | Joback Calculated Property |
| Cp,gas | 1006.42 | J/mol×K | 958.50 | Joback Calculated Property |
| Cp,gas | 1019.96 | J/mol×K | 992.62 | Joback Calculated Property |
| Cp,gas | 1032.43 | J/mol×K | 1026.74 | Joback Calculated Property |
| Cp,gas | 1043.85 | J/mol×K | 1060.86 | Joback Calculated Property |
| Cp,gas | 1054.28 | J/mol×K | 1094.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(4-fluorobenzoyl)-, nonyl ester.
Sources
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