- InChI
- InChI=1S/C23H38F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-34-19(32)18(17(2)3)31-20(33)21(24,25)22(26,27)23(28,29)30/h17-18H,4-16H2,1-3H3,(H,31,33)
- InChI Key
- ACPKOSIGENDTLE-UHFFFAOYSA-N
- Formula
- C23H38F7NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(NC(=O)C(
F)(F)C(F)(F)C(F)(F)F)C(C)C - Molecular Weight1
- 509.54
- 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 | 1.0553 | Relay (1.0) Calculated Property | |
| ΔfG° | -1490.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2378.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.78 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.204 | Crippen Calculated Property | |
| McVol | 366.310 | ml/mol | McGowan Calculated Property |
| Pc | 795.28 | kPa | Joback Calculated Property |
| Inp | 2255.00 | NIST | |
| Tboil | 596.60 | K | Relay (1.0) Calculated Property |
| Tc | 739.89 | K | Relay (1.0) Calculated Property |
| Tfus | 337.33 | K | Relay (1.0) Calculated Property |
| Vc | 1.354 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1239.37; 1333.78] | J/mol×K | [890.29; 1094.53] | 
|
| Cp,gas | 1239.37 | J/mol×K | 890.29 | Joback Calculated Property |
| Cp,gas | 1257.67 | J/mol×K | 924.33 | Joback Calculated Property |
| Cp,gas | 1274.81 | J/mol×K | 958.37 | Joback Calculated Property |
| Cp,gas | 1290.88 | J/mol×K | 992.41 | Joback Calculated Property |
| Cp,gas | 1305.99 | J/mol×K | 1026.45 | Joback Calculated Property |
| Cp,gas | 1320.25 | J/mol×K | 1060.49 | Joback Calculated Property |
| Cp,gas | 1333.78 | J/mol×K | 1094.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, n-heptafluorobutyryl-, tetradecyl ester.
Sources
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