- InChI
- InChI=1S/C33H30F18O16/c1-11(2)5-4-6-12(3)7-8-58-20-19(67-27(57)33(49,50)51)17(65-25(55)31(43,44)45)15(63-23(53)29(37,38)39)13(61-20)9-59-21-18(66-26(56)32(46,47)48)16(64-24(54)30(40,41)42)14(62-21)10-60-22(52)28(34,35)36/h5,7,13-21H,4,6,8-10H2,1-3H3/b12-7+/t13-,14-,15-,16-,17+,18+,19-,20-,21+/m0/s1
- InChI Key
- CYAPMPWDJKDVSX-BBVDCSDLSA-N
- Formula
- C33H30F18O16
- SMILES
-
CC(C)=CCCC(C)=CCOC1OC(COC2OC(C
OC(=O)C(F)(F)F)C(OC(=O)C(F)(F) F)C2OC(=O)C(F)(F)F)C(OC(=O)C(F )(F)F)C(OC(=O)C(F)(F)F)C1OC(=O )C(F)(F)F - Molecular Weight1
- 1024.55
- 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° | -4897.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -6116.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 118.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 133.94 | kJ/mol | Joback Calculated Property |
| log10WS | -8.63 | Crippen Calculated Property | |
| logPoct/wat | 5.638 | Crippen Calculated Property | |
| McVol | 545.490 | ml/mol | McGowan Calculated Property |
| Pc | 474.65 | kPa | Joback Calculated Property |
| Inp | 2261.00 | NIST | |
| Tboil | 1488.62 | K | Joback Calculated Property |
| Tc | 2372.98 | K | Joback Calculated Property |
| Tfus | 967.89 | K | Joback Calculated Property |
| Vc | 2.192 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1608.40; 1965.00] | J/mol×K | [1488.62; 2372.98] | 
|
| Cp,gas | 1965.00 | J/mol×K | 1488.62 | Joback Calculated Property |
| Cp,gas | 1918.32 | J/mol×K | 1636.01 | Joback Calculated Property |
| Cp,gas | 1857.47 | J/mol×K | 1783.41 | Joback Calculated Property |
| Cp,gas | 1789.26 | J/mol×K | 1930.80 | Joback Calculated Property |
| Cp,gas | 1720.48 | J/mol×K | 2078.20 | Joback Calculated Property |
| Cp,gas | 1657.93 | J/mol×K | 2225.59 | Joback Calculated Property |
| Cp,gas | 1608.40 | J/mol×K | 2372.98 | Joback Calculated Property |
Similar Compounds
Sources
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