- InChI
- InChI=1S/C23H24F6O5/c1-21-8-7-12-13(15(21)5-6-18(21)34-20(31)23(27,28)29)4-3-11-9-17(16(32-2)10-14(11)12)33-19(30)22(24,25)26/h9-10,12-13,15,18H,3-8H2,1-2H3/t12-,13?,15-,18-,21-/m1/s1
- InChI Key
- VEIPLNGOHCVRDA-BYSRFSNKSA-N
- Formula
- C23H24F6O5
- SMILES
-
COc1cc2c(cc1OC(=O)C(F)(F)F)CCC
1C2CCC2(C)C(OC(=O)C(F)(F)F)CCC 12 - Molecular Weight1
- 494.42
- 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° | -1372.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1951.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.60 | kJ/mol | Joback Calculated Property |
| log10WS | -6.92 | Crippen Calculated Property | |
| logPoct/wat | 5.493 | Crippen Calculated Property | |
| McVol | 309.960 | ml/mol | McGowan Calculated Property |
| Pc | 1207.31 | kPa | Joback Calculated Property |
| Inp | [2474.00; 2505.00] |
|
|
| Inp | 2474.00 | NIST | |
| Inp | 2505.00 | NIST | |
| Inp | 2474.00 | NIST | |
| Tboil | 951.08 | K | Joback Calculated Property |
| Tc | 1169.77 | K | Joback Calculated Property |
| Tfus | 650.08 | K | Joback Calculated Property |
| Vc | 1.218 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1095.57; 1208.45] | J/mol×K | [951.08; 1169.77] |
|
| Cp,gas | 1095.57 | J/mol×K | 951.08 | Joback Calculated Property |
| Cp,gas | 1114.26 | J/mol×K | 987.53 | Joback Calculated Property |
| Cp,gas | 1132.73 | J/mol×K | 1023.98 | Joback Calculated Property |
| Cp,gas | 1151.18 | J/mol×K | 1060.43 | Joback Calculated Property |
| Cp,gas | 1169.82 | J/mol×K | 1096.87 | Joback Calculated Property |
| Cp,gas | 1188.84 | J/mol×K | 1133.32 | Joback Calculated Property |
| Cp,gas | 1208.45 | J/mol×K | 1169.77 | Joback Calculated Property |
Similar Compounds
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Sources
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