- InChI
- InChI=1S/C33H30F18O17/c1-5-26(4)7-6-12(66-26)25(2,3)67-17-15(64-22(55)31(43,44)45)14(63-21(54)30(40,41)42)13(62-20(53)29(37,38)39)11(61-17)8-58-18-16(65-23(56)32(46,47)48)27(9-59-18,68-24(57)33(49,50)51)10-60-19(52)28(34,35)36/h5,11-18H,1,6-10H2,2-4H3/t11-,12?,13-,14+,15-,16+,17+,18-,26-,27?/m0/s1
- InChI Key
- FGBDKAZTUKSWQV-GGZOKKFMSA-N
- Formula
- C33H30F18O17
- SMILES
-
C=CC1(C)CCC(C(C)(C)OC2OC(COC3O
CC(COC(=O)C(F)(F)F)(OC(=O)C(F) (F)F)C3OC(=O)C(F)(F)F)C(OC(=O) C(F)(F)F)C(OC(=O)C(F)(F)F)C2OC (=O)C(F)(F)F)O1 - Molecular Weight1
- 1040.55
- 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° | -5011.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6256.11 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 101.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.37 | kJ/mol | Joback Calculated Property |
| log10WS | -7.98 | Crippen Calculated Property | |
| logPoct/wat | 4.849 | Crippen Calculated Property | |
| McVol | 544.800 | ml/mol | McGowan Calculated Property |
| Pc | 520.78 | kPa | Joback Calculated Property |
| Inp | 2167.00 | NIST | |
| Tboil | 1516.70 | K | Joback Calculated Property |
| Tc | 2298.89 | K | Joback Calculated Property |
| Tfus | 1091.90 | K | Joback Calculated Property |
| Vc | 2.159 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2387.33; 4434.54] | J/mol×K | [1516.70; 2298.89] | 
|
| Cp,gas | 2387.33 | J/mol×K | 1516.70 | Joback Calculated Property |
| Cp,gas | 2554.90 | J/mol×K | 1647.07 | Joback Calculated Property |
| Cp,gas | 2774.70 | J/mol×K | 1777.43 | Joback Calculated Property |
| Cp,gas | 3059.65 | J/mol×K | 1907.80 | Joback Calculated Property |
| Cp,gas | 3422.67 | J/mol×K | 2038.16 | Joback Calculated Property |
| Cp,gas | 3876.66 | J/mol×K | 2168.53 | Joback Calculated Property |
| Cp,gas | 4434.54 | J/mol×K | 2298.89 | Joback Calculated Property |
Similar Compounds
Sources
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