- InChI
- InChI=1S/C17H20F5NO3/c1-4-5-6-7-26-17(25)15(8(2)3)23-16(24)9-10(18)12(20)14(22)13(21)11(9)19/h8,15H,4-7H2,1-3H3,(H,23,24)
- InChI Key
- BWCHYXCAWRMRDI-UHFFFAOYSA-N
- Formula
- C17H20F5NO3
- SMILES
-
CCCCCOC(=O)C(NC(=O)c1c(F)c(F)c
(F)c(F)c1F)C(C)C - Molecular Weight1
- 381.34
- 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° | -1095.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1510.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.50 | kJ/mol | Joback Calculated Property |
| log10WS | -5.97 | Crippen Calculated Property | |
| logPoct/wat | 3.870 | Crippen Calculated Property | |
| McVol | 254.470 | ml/mol | McGowan Calculated Property |
| Pc | 1391.25 | kPa | Joback Calculated Property |
| Inp | [2013.00; 2013.00] |
|
|
| Inp | 2013.00 | NIST | |
| Inp | 2013.00 | NIST | |
| Tboil | 815.74 | K | Joback Calculated Property |
| Tc | 1004.41 | K | Joback Calculated Property |
| Tfus | 518.07 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [768.44; 833.68] | J/mol×K | [815.74; 1004.41] |
|
| Cp,gas | 768.44 | J/mol×K | 815.74 | Joback Calculated Property |
| Cp,gas | 781.46 | J/mol×K | 847.19 | Joback Calculated Property |
| Cp,gas | 793.61 | J/mol×K | 878.63 | Joback Calculated Property |
| Cp,gas | 804.89 | J/mol×K | 910.08 | Joback Calculated Property |
| Cp,gas | 815.33 | J/mol×K | 941.52 | Joback Calculated Property |
| Cp,gas | 824.92 | J/mol×K | 972.97 | Joback Calculated Property |
| Cp,gas | 833.68 | J/mol×K | 1004.41 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-pentafluorobenzoyl-, pentyl ester.
Sources
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