- InChI
- InChI=1S/C23H26F6O4/c1-20-9-7-13(32-18(30)22(24,25)26)11-12(20)3-4-14-15-5-6-17(33-19(31)23(27,28)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
- YBEBPANRVKPMKF-FVLSIOMWSA-N
- Formula
- C23H26F6O4
- SMILES
-
CC12CC=C(OC(=O)C(F)(F)F)C=C1CC
C1C2CCC2(C)C(OC(=O)C(F)(F)F)CC C12 - Molecular Weight1
- 480.44
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.6074 | Relay (... Calculated Property | |
| ΔfG° | -1291.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1914.11 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.03 | kJ/mol | Relay (... Calculated Property |
| IE | 9.03 | eV | Relay (... Calculated Property |
| log10WS | -6.75 | Relay (... Calculated Property | |
| logPoct/wat | 6.023 | Crippen Calculated Property | |
| McVol | 308.390 | ml/mol | McGowan Calculated Property |
| Pc | 1226.84 | kPa | Joback Calculated Property |
| Inp | 2340.00 | NIST | |
| Tboil | 623.47 | K | Relay (... Calculated Property |
| Tc | 879.74 | K | Relay (... Calculated Property |
| Tfus | 389.25 | K | Relay (... Calculated Property |
| Vc | 1.119 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1099.84; 1247.61] | J/mol×K | [915.11; 1132.21] | 
|
| Cp,gas | 1099.84 | J/mol×K | 915.11 | Joback Calculated Property |
| Cp,gas | 1122.38 | J/mol×K | 951.29 | Joback Calculated Property |
| Cp,gas | 1145.35 | J/mol×K | 987.48 | Joback Calculated Property |
| Cp,gas | 1169.06 | J/mol×K | 1023.66 | Joback Calculated Property |
| Cp,gas | 1193.81 | J/mol×K | 1059.84 | Joback Calculated Property |
| Cp,gas | 1219.89 | J/mol×K | 1096.03 | Joback Calculated Property |
| Cp,gas | 1247.61 | J/mol×K | 1132.21 | Joback Calculated Property |
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Sources
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