- InChI
- InChI=1S/C25H24F10O6/c1-21-6-5-11-12(4-3-10-7-15(36)16(39-2)8-13(10)11)14(21)9-17(40-19(37)22(26,27)24(30,31)32)18(21)41-20(38)23(28,29)25(33,34)35/h7-8,11-12,14,17-18,36H,3-6,9H2,1-2H3/t11-,12+,14-,17+,18-,21-/m1/s1
- InChI Key
- XKCPQLZEMXYPPS-CBPXGTFBSA-N
- Formula
- C25H24F10O6
- SMILES
-
COc1cc2c(cc1O)CCC1C2CCC2(C)C1C
C(OC(=O)C(F)(F)C(F)(F)F)C2OC(= O)C(F)(F)C(F)(F)F - Molecular Weight1
- 610.44
- 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° | -2282.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2980.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.23 | kJ/mol | Joback Calculated Property |
| log10WS | -7.43 | Crippen Calculated Property | |
| logPoct/wat | 6.086 | Crippen Calculated Property | |
| McVol | 351.090 | ml/mol | McGowan Calculated Property |
| Pc | 1053.46 | kPa | Joback Calculated Property |
| Inp | 2544.00 | NIST | |
| Tboil | 1058.43 | K | Joback Calculated Property |
| Tc | 1296.63 | K | Joback Calculated Property |
| Tfus | 774.78 | K | Joback Calculated Property |
| Vc | 1.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1321.07; 1493.17] | J/mol×K | [1058.43; 1296.63] | 
|
| Cp,gas | 1321.07 | J/mol×K | 1058.43 | Joback Calculated Property |
| Cp,gas | 1345.22 | J/mol×K | 1098.13 | Joback Calculated Property |
| Cp,gas | 1370.68 | J/mol×K | 1137.83 | Joback Calculated Property |
| Cp,gas | 1397.82 | J/mol×K | 1177.53 | Joback Calculated Property |
| Cp,gas | 1427.04 | J/mol×K | 1217.23 | Joback Calculated Property |
| Cp,gas | 1458.69 | J/mol×K | 1256.93 | Joback Calculated Property |
| Cp,gas | 1493.17 | J/mol×K | 1296.63 | Joback Calculated Property |
Similar Compounds
Sources
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