- InChI
- InChI=1S/C24H34F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-33-24(32)22(15(2)3)30-23(31)16-17(25)19(27)21(29)20(28)18(16)26/h15,22H,4-14H2,1-3H3,(H,30,31)
- InChI Key
- JCOMMQKSHHBFJZ-UHFFFAOYSA-N
- Formula
- C24H34F5NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C(NC(=O)c1c(
F)c(F)c(F)c(F)c1F)C(C)C - Molecular Weight1
- 479.52
- 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° | -1036.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1654.53 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.08 | kJ/mol | Joback Calculated Property |
| log10WS | -8.90 | Crippen Calculated Property | |
| logPoct/wat | 6.601 | Crippen Calculated Property | |
| McVol | 353.100 | ml/mol | McGowan Calculated Property |
| Pc | 889.47 | kPa | Joback Calculated Property |
| Inp | [2691.00; 2691.00] |
|
|
| Inp | 2691.00 | NIST | |
| Inp | 2691.00 | NIST | |
| Tboil | 975.90 | K | Joback Calculated Property |
| Tc | 1200.82 | K | Joback Calculated Property |
| Tfus | 596.96 | K | Joback Calculated Property |
| Vc | 1.415 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1183.14; 1257.59] | J/mol×K | [975.90; 1200.82] |
|
| Cp,gas | 1183.14 | J/mol×K | 975.90 | Joback Calculated Property |
| Cp,gas | 1199.20 | J/mol×K | 1013.39 | Joback Calculated Property |
| Cp,gas | 1213.74 | J/mol×K | 1050.87 | Joback Calculated Property |
| Cp,gas | 1226.81 | J/mol×K | 1088.36 | Joback Calculated Property |
| Cp,gas | 1238.44 | J/mol×K | 1125.84 | Joback Calculated Property |
| Cp,gas | 1248.69 | J/mol×K | 1163.33 | Joback Calculated Property |
| Cp,gas | 1257.59 | J/mol×K | 1200.82 | Joback Calculated Property |
Similar Compounds
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Sources
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