- InChI
- InChI=1S/C20H26F5NO3/c1-4-5-6-7-8-9-10-29-20(28)18(11(2)3)26-19(27)12-13(21)15(23)17(25)16(24)14(12)22/h11,18H,4-10H2,1-3H3,(H,26,27)
- InChI Key
- DETTUEPUDKGONU-UHFFFAOYSA-N
- Formula
- C20H26F5NO3
- SMILES
-
CCCCCCCCOC(=O)C(NC(=O)c1c(F)c(
F)c(F)c(F)c1F)C(C)C - Molecular Weight1
- 423.42
- 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° | -1070.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1571.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.18 | kJ/mol | Joback Calculated Property |
| log10WS | -7.23 | Crippen Calculated Property | |
| logPoct/wat | 5.040 | Crippen Calculated Property | |
| McVol | 296.740 | ml/mol | McGowan Calculated Property |
| Pc | 1134.43 | kPa | Joback Calculated Property |
| Inp | [2286.00; 2286.00] |
|
|
| Inp | 2286.00 | NIST | |
| Inp | 2286.00 | NIST | |
| Tboil | 884.38 | K | Joback Calculated Property |
| Tc | 1082.90 | K | Joback Calculated Property |
| Tfus | 551.88 | K | Joback Calculated Property |
| Vc | 1.190 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [942.11; 1011.86] | J/mol×K | [884.38; 1082.90] |
|
| Cp,gas | 942.11 | J/mol×K | 884.38 | Joback Calculated Property |
| Cp,gas | 956.37 | J/mol×K | 917.47 | Joback Calculated Property |
| Cp,gas | 969.55 | J/mol×K | 950.55 | Joback Calculated Property |
| Cp,gas | 981.67 | J/mol×K | 983.64 | Joback Calculated Property |
| Cp,gas | 992.75 | J/mol×K | 1016.73 | Joback Calculated Property |
| Cp,gas | 1002.80 | J/mol×K | 1049.82 | Joback Calculated Property |
| Cp,gas | 1011.86 | J/mol×K | 1082.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to L-Valine, N-pentafluorobenzoyl-, octyl ester.
Sources
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