- InChI
- InChI=1S/C25H44F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34-22(32)21(20(2)3)31-23(33)24(26,27)25(28,29)30/h20-21H,4-19H2,1-3H3,(H,31,33)
- InChI Key
- FXXPUBXFMPUUJU-UHFFFAOYSA-N
- Formula
- C25H44F5NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(NC(=O
)C(F)(F)C(F)(F)F)C(C)C - Molecular Weight1
- 501.61
- 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° | -1087.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1871.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.13 | kJ/mol | Joback Calculated Property |
| log10WS | -8.96 | Crippen Calculated Property | |
| logPoct/wat | 7.739 | Crippen Calculated Property | |
| McVol | 390.950 | ml/mol | McGowan Calculated Property |
| Pc | 743.67 | kPa | Joback Calculated Property |
| Inp | [2523.00; 2523.00] |
|
|
| Inp | 2523.00 | NIST | |
| Inp | 2523.00 | NIST | |
| Tboil | 940.74 | K | Joback Calculated Property |
| Tc | 1162.30 | K | Joback Calculated Property |
| Tfus | 524.05 | K | Joback Calculated Property |
| Vc | 1.556 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1350.15; 1452.89] | J/mol×K | [940.74; 1162.30] |
|
| Cp,gas | 1350.15 | J/mol×K | 940.74 | Joback Calculated Property |
| Cp,gas | 1370.36 | J/mol×K | 977.67 | Joback Calculated Property |
| Cp,gas | 1389.17 | J/mol×K | 1014.59 | Joback Calculated Property |
| Cp,gas | 1406.71 | J/mol×K | 1051.52 | Joback Calculated Property |
| Cp,gas | 1423.10 | J/mol×K | 1088.45 | Joback Calculated Property |
| Cp,gas | 1438.45 | J/mol×K | 1125.38 | Joback Calculated Property |
| Cp,gas | 1452.89 | J/mol×K | 1162.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, n-pentafluoropropionyl-, heptadecyl ester.
Sources
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