- InChI
- InChI=1S/C23H26Cl2F4O4/c1-20-9-7-13(32-18(30)22(24,26)27)11-12(20)3-4-14-15-5-6-17(33-19(31)23(25,28)29)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
- LPASLVRGRICJCI-FVLSIOMWSA-N
- Formula
- C23H26Cl2F4O4
- SMILES
-
CC12CC=C(OC(=O)C(F)(F)Cl)C=C1C
CC1C2CCC2(C)C(OC(=O)C(F)(F)Cl) CCC12 - Molecular Weight1
- 513.35
- 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° | -925.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1498.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.51 | kJ/mol | Joback Calculated Property |
| log10WS | -7.78 | Crippen Calculated Property | |
| logPoct/wat | 6.561 | Crippen Calculated Property | |
| McVol | 329.330 | ml/mol | McGowan Calculated Property |
| Pc | 1240.71 | kPa | Joback Calculated Property |
| Inp | 2728.00 | NIST | |
| Tboil | 991.43 | K | Joback Calculated Property |
| Tc | 1226.98 | K | Joback Calculated Property |
| Tfus | 680.37 | K | Joback Calculated Property |
| Vc | 1.274 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1150.35; 1332.02] | J/mol×K | [991.43; 1226.98] | 
|
| Cp,gas | 1150.35 | J/mol×K | 991.43 | Joback Calculated Property |
| Cp,gas | 1176.02 | J/mol×K | 1030.69 | Joback Calculated Property |
| Cp,gas | 1203.01 | J/mol×K | 1069.95 | Joback Calculated Property |
| Cp,gas | 1231.73 | J/mol×K | 1109.20 | Joback Calculated Property |
| Cp,gas | 1262.54 | J/mol×K | 1148.46 | Joback Calculated Property |
| Cp,gas | 1295.84 | J/mol×K | 1187.72 | Joback Calculated Property |
| Cp,gas | 1332.02 | J/mol×K | 1226.98 | Joback Calculated Property |
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Sources
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