- InChI
- InChI=1S/C20H29F2NO3/c1-4-5-6-7-8-9-12-26-20(25)18(14(2)3)23-19(24)15-10-11-16(21)17(22)13-15/h10-11,13-14,18H,4-9,12H2,1-3H3,(H,23,24)
- InChI Key
- BSAMHKZPUQVSLI-UHFFFAOYSA-N
- Formula
- C20H29F2NO3
- SMILES
-
CCCCCCCCOC(=O)C(NC(=O)c1ccc(F)
c(F)c1)C(C)C - Molecular Weight1
- 369.45
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -457.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -949.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.64 | kJ/mol | Joback Calculated Property |
| log10WS | -6.24 | Crippen Calculated Property | |
| logPoct/wat | 4.623 | Crippen Calculated Property | |
| McVol | 291.430 | ml/mol | McGowan Calculated Property |
| Pc | 1285.59 | kPa | Joback Calculated Property |
| Inp | [2416.00; 2416.00] |
|
|
| Inp | 2416.00 | NIST | |
| Inp | 2416.00 | NIST | |
| Tboil | 871.63 | K | Joback Calculated Property |
| Tc | 1072.35 | K | Joback Calculated Property |
| Tfus | 512.55 | K | Joback Calculated Property |
| Vc | 1.137 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [922.80; 998.06] | J/mol×K | [871.63; 1072.35] |
|
| Cp,gas | 922.80 | J/mol×K | 871.63 | Joback Calculated Property |
| Cp,gas | 937.99 | J/mol×K | 905.08 | Joback Calculated Property |
| Cp,gas | 952.07 | J/mol×K | 938.54 | Joback Calculated Property |
| Cp,gas | 965.09 | J/mol×K | 971.99 | Joback Calculated Property |
| Cp,gas | 977.07 | J/mol×K | 1005.44 | Joback Calculated Property |
| Cp,gas | 988.05 | J/mol×K | 1038.89 | Joback Calculated Property |
| Cp,gas | 998.06 | J/mol×K | 1072.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-(3,4-difluorobenzoyl)-, octyl ester.
Sources
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