- InChI
- InChI=1S/C15H16F5NO3/c1-4-5-24-15(23)13(6(2)3)21-14(22)7-8(16)10(18)12(20)11(19)9(7)17/h6,13H,4-5H2,1-3H3,(H,21,22)
- InChI Key
- VPVACQKDIPIXGZ-UHFFFAOYSA-N
- Formula
- C15H16F5NO3
- SMILES
-
CCCOC(=O)C(NC(=O)c1c(F)c(F)c(F
)c(F)c1F)C(C)C - Molecular Weight1
- 353.28
- 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° | -1112.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1468.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.05 | kJ/mol | Joback Calculated Property |
| log10WS | -5.14 | Crippen Calculated Property | |
| logPoct/wat | 3.090 | Crippen Calculated Property | |
| McVol | 226.290 | ml/mol | McGowan Calculated Property |
| Pc | 1614.17 | kPa | Joback Calculated Property |
| Inp | [1828.00; 1828.00] |
|
|
| Inp | 1828.00 | NIST | |
| Inp | 1828.00 | NIST | |
| Tboil | 769.98 | K | Joback Calculated Property |
| Tc | 955.82 | K | Joback Calculated Property |
| Tfus | 495.53 | K | Joback Calculated Property |
| Vc | 0.910 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [657.07; 718.62] | J/mol×K | [769.98; 955.82] |
|
| Cp,gas | 657.07 | J/mol×K | 769.98 | Joback Calculated Property |
| Cp,gas | 669.22 | J/mol×K | 800.95 | Joback Calculated Property |
| Cp,gas | 680.60 | J/mol×K | 831.93 | Joback Calculated Property |
| Cp,gas | 691.23 | J/mol×K | 862.90 | Joback Calculated Property |
| Cp,gas | 701.10 | J/mol×K | 893.87 | Joback Calculated Property |
| Cp,gas | 710.23 | J/mol×K | 924.85 | Joback Calculated Property |
| Cp,gas | 718.62 | J/mol×K | 955.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-pentafluorobenzoyl-, propyl ester.
Sources
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