- InChI
- InChI=1S/C25H26ClF9O4/c1-20-9-7-13(38-18(36)22(27,28)24(31,32)25(33,34)35)11-12(20)3-4-14-15-5-6-17(39-19(37)23(26,29)30)21(15,2)10-8-16(14)20/h7,11,14-17H,3-6,8-10H2,1-2H3/t14?,15?,16?,17-,20-,21-/m1/s1
- InChI Key
- PKORKLKWDVKZLL-FVLSIOMWSA-N
- Formula
- C25H26ClF9O4
- SMILES
-
CC12CC=C(OC(=O)C(F)(F)C(F)(F)C
(F)(F)F)C=C1CCC1C2CCC2(C)C(OC( =O)C(F)(F)Cl)CCC12 - Molecular Weight1
- 596.91
- 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° | -1865.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2521.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.90 | kJ/mol | Joback Calculated Property |
| log10WS | -8.95 | Crippen Calculated Property | |
| logPoct/wat | 7.562 | Crippen Calculated Property | |
| McVol | 354.120 | ml/mol | McGowan Calculated Property |
| Pc | 988.26 | kPa | Joback Calculated Property |
| Inp | 2580.00 | NIST | |
| Tboil | 989.65 | K | Joback Calculated Property |
| Tc | 1213.46 | K | Joback Calculated Property |
| Tfus | 680.78 | K | Joback Calculated Property |
| Vc | 1.405 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1282.15; 1461.78] | J/mol×K | [989.65; 1213.46] | 
|
| Cp,gas | 1282.15 | J/mol×K | 989.65 | Joback Calculated Property |
| Cp,gas | 1307.45 | J/mol×K | 1026.95 | Joback Calculated Property |
| Cp,gas | 1334.09 | J/mol×K | 1064.25 | Joback Calculated Property |
| Cp,gas | 1362.45 | J/mol×K | 1101.56 | Joback Calculated Property |
| Cp,gas | 1392.92 | J/mol×K | 1138.86 | Joback Calculated Property |
| Cp,gas | 1425.90 | J/mol×K | 1176.16 | Joback Calculated Property |
| Cp,gas | 1461.78 | J/mol×K | 1213.46 | Joback Calculated Property |
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Sources
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