- InChI
- InChI=1S/C16H18F5NO3/c1-6(2)5-25-16(24)14(7(3)4)22-15(23)8-9(17)11(19)13(21)12(20)10(8)18/h6-7,14H,5H2,1-4H3,(H,22,23)
- InChI Key
- UHCDBZBYCIDLSU-UHFFFAOYSA-N
- Formula
- C16H18F5NO3
- SMILES
-
CC(C)COC(=O)C(NC(=O)c1c(F)c(F)
c(F)c(F)c1F)C(C)C - Molecular Weight1
- 367.31
- 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° | -1106.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1494.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.88 | kJ/mol | Joback Calculated Property |
| log10WS | -5.31 | Crippen Calculated Property | |
| logPoct/wat | 3.336 | Crippen Calculated Property | |
| McVol | 240.380 | ml/mol | McGowan Calculated Property |
| Pc | 1505.81 | kPa | Joback Calculated Property |
| Inp | [1873.00; 1873.00] |
|
|
| Inp | 1873.00 | NIST | |
| Inp | 1873.00 | NIST | |
| Tboil | 792.42 | K | Joback Calculated Property |
| Tc | 980.85 | K | Joback Calculated Property |
| Tfus | 491.80 | K | Joback Calculated Property |
| Vc | 0.961 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [712.83; 776.60] | J/mol×K | [792.42; 980.85] |
|
| Cp,gas | 712.83 | J/mol×K | 792.42 | Joback Calculated Property |
| Cp,gas | 725.53 | J/mol×K | 823.82 | Joback Calculated Property |
| Cp,gas | 737.38 | J/mol×K | 855.23 | Joback Calculated Property |
| Cp,gas | 748.41 | J/mol×K | 886.63 | Joback Calculated Property |
| Cp,gas | 758.62 | J/mol×K | 918.04 | Joback Calculated Property |
| Cp,gas | 768.02 | J/mol×K | 949.44 | Joback Calculated Property |
| Cp,gas | 776.60 | J/mol×K | 980.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-pentafluorobenzoyl-, isobutyl ester.
Sources
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