- InChI
- InChI=1S/C13H18F7NO3/c1-6(2)5-24-9(22)8(7(3)4)21-10(23)11(14,15)12(16,17)13(18,19)20/h6-8H,5H2,1-4H3,(H,21,23)
- InChI Key
- DVJZJVCXAFDQLN-UHFFFAOYSA-N
- Formula
- C13H18F7NO3
- SMILES
-
CC(C)COC(=O)C(NC(=O)C(F)(F)C(F
)(F)C(F)(F)F)C(C)C - Molecular Weight1
- 369.28
- Other Names
-
- Val, isobutyl ester, HFB
- Val, iso-Bu, HFB
- 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).
- 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 | 0.6601 | Relay (1.0) Calculated Property | |
| ΔfG° | -1577.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2207.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.159 | Crippen Calculated Property | |
| McVol | 225.410 | ml/mol | McGowan Calculated Property |
| Pc | 1504.65 | kPa | Joback Calculated Property |
| Tboil | 484.18 | K | Relay (1.0) Calculated Property |
| Tc | 632.82 | K | Relay (1.0) Calculated Property |
| Tfus | 312.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.820 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [662.59; 731.33] | J/mol×K | [661.05; 828.60] | 
|
| Cp,gas | 662.59 | J/mol×K | 661.05 | Joback Calculated Property |
| Cp,gas | 675.98 | J/mol×K | 688.98 | Joback Calculated Property |
| Cp,gas | 688.53 | J/mol×K | 716.90 | Joback Calculated Property |
| Cp,gas | 700.30 | J/mol×K | 744.83 | Joback Calculated Property |
| Cp,gas | 711.33 | J/mol×K | 772.75 | Joback Calculated Property |
| Cp,gas | 721.66 | J/mol×K | 800.68 | Joback Calculated Property |
| Cp,gas | 731.33 | J/mol×K | 828.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to l-Valine, n-heptafluorobutyryl-, isobutyl ester.
Sources
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