- InChI
- InChI=1S/C22H33F2NO3/c1-4-5-6-7-8-9-10-11-14-28-22(27)20(16(2)3)25-21(26)17-12-13-18(23)19(24)15-17/h12-13,15-16,20H,4-11,14H2,1-3H3,(H,25,26)
- InChI Key
- NFJFIQRLAHWMGS-UHFFFAOYSA-N
- Formula
- C22H33F2NO3
- SMILES
-
CCCCCCCCCCOC(=O)C(NC(=O)c1ccc(
F)c(F)c1)C(C)C - Molecular Weight1
- 397.50
- 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 | 0.9950 | Relay (1.0) Calculated Property | |
| ΔfG° | -440.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1065.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.12 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.403 | Crippen Calculated Property | |
| McVol | 319.610 | ml/mol | McGowan Calculated Property |
| Pc | 1125.32 | kPa | Joback Calculated Property |
| Inp | [2613.00; 2613.00] |
|
|
| Inp | 2613.00 | NIST | |
| Inp | 2613.00 | NIST | |
| Tboil | 635.14 | K | Relay (1.0) Calculated Property |
| Tc | 859.80 | K | Relay (1.0) Calculated Property |
| Tfus | 352.83 | K | Relay (1.0) Calculated Property |
| Vc | 1.161 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1042.59; 1119.79] | J/mol×K | [917.39; 1124.02] |
|
| Cp,gas | 1042.59 | J/mol×K | 917.39 | Joback Calculated Property |
| Cp,gas | 1058.35 | J/mol×K | 951.83 | Joback Calculated Property |
| Cp,gas | 1072.90 | J/mol×K | 986.27 | Joback Calculated Property |
| Cp,gas | 1086.27 | J/mol×K | 1020.71 | Joback Calculated Property |
| Cp,gas | 1098.52 | J/mol×K | 1055.15 | Joback Calculated Property |
| Cp,gas | 1109.67 | J/mol×K | 1089.58 | Joback Calculated Property |
| Cp,gas | 1119.79 | J/mol×K | 1124.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3,4-difluorobenzoyl)-, decyl ester.
Sources
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