- InChI
- InChI=1S/C26H26F12O4/c1-20-9-7-13(41-19(40)23(29,30)25(33,34)35)11-12(20)3-4-14-15-5-6-17(21(15,2)10-8-16(14)20)42-18(39)22(27,28)24(31,32)26(36,37)38/h7,11,14-17H,3-6,8-10H2,1-2H3/t14?,15?,16?,17-,20-,21-/m1/s1
- InChI Key
- USLXJCDJCHXXGL-FVLSIOMWSA-N
- Formula
- C26H26F12O4
- SMILES
-
CC12CC=C(OC(=O)C(F)(F)C(F)(F)F
)C=C1CCC1C2CCC2(C)C(OC(=O)C(F) (F)C(F)(F)C(F)(F)F)CCC12 - Molecular Weight1
- 630.46
- 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° | -2426.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -3123.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.00 | kJ/mol | Joback Calculated Property |
| log10WS | -9.38 | Crippen Calculated Property | |
| logPoct/wat | 7.929 | Crippen Calculated Property | |
| McVol | 361.280 | ml/mol | McGowan Calculated Property |
| Pc | 887.88 | kPa | Joback Calculated Property |
| Inp | 2402.00 | NIST | |
| Tboil | 969.68 | K | Joback Calculated Property |
| Tc | 1187.21 | K | Joback Calculated Property |
| Tfus | 666.32 | K | Joback Calculated Property |
| Vc | 1.454 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1334.61; 1506.17] | J/mol×K | [969.68; 1187.21] | 
|
| Cp,gas | 1334.61 | J/mol×K | 969.68 | Joback Calculated Property |
| Cp,gas | 1359.14 | J/mol×K | 1005.93 | Joback Calculated Property |
| Cp,gas | 1384.79 | J/mol×K | 1042.19 | Joback Calculated Property |
| Cp,gas | 1411.93 | J/mol×K | 1078.44 | Joback Calculated Property |
| Cp,gas | 1440.95 | J/mol×K | 1114.70 | Joback Calculated Property |
| Cp,gas | 1472.24 | J/mol×K | 1150.95 | Joback Calculated Property |
| Cp,gas | 1506.17 | J/mol×K | 1187.21 | Joback Calculated Property |
Similar Compounds
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Sources
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