- InChI
- InChI=1S/C31H45F7O3/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-28(6)17-15-24-19-25(18-23(5)26(24)41-28)40-27(39)29(32,33)30(34,35)31(36,37)38/h18-22H,7-17H2,1-6H3
- InChI Key
- PMCAQIGNKZLLAE-UHFFFAOYSA-N
- Formula
- C31H45F7O3
- SMILES
-
Cc1cc(OC(=O)C(F)(F)C(F)(F)C(F)
(F)F)cc2c1OC(C)(CCCC(C)CCCC(C) CCCC(C)C)CC2 - Molecular Weight1
- 598.68
- 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° | -1345.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2190.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.69 | kJ/mol | Joback Calculated Property |
| log10WS | -11.71 | Crippen Calculated Property | |
| logPoct/wat | 10.256 | Crippen Calculated Property | |
| McVol | 438.730 | ml/mol | McGowan Calculated Property |
| Pc | 655.78 | kPa | Joback Calculated Property |
| Inp | 2755.00 | NIST | |
| Tboil | 1048.67 | K | Joback Calculated Property |
| Tc | 1294.42 | K | Joback Calculated Property |
| Tfus | 606.55 | K | Joback Calculated Property |
| Vc | 1.730 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1595.68; 1775.97] | J/mol×K | [1048.67; 1294.42] | 
|
| Cp,gas | 1595.68 | J/mol×K | 1048.67 | Joback Calculated Property |
| Cp,gas | 1623.67 | J/mol×K | 1089.63 | Joback Calculated Property |
| Cp,gas | 1652.01 | J/mol×K | 1130.59 | Joback Calculated Property |
| Cp,gas | 1681.06 | J/mol×K | 1171.54 | Joback Calculated Property |
| Cp,gas | 1711.16 | J/mol×K | 1212.50 | Joback Calculated Property |
| Cp,gas | 1742.68 | J/mol×K | 1253.46 | Joback Calculated Property |
| Cp,gas | 1775.97 | J/mol×K | 1294.42 | Joback Calculated Property |
Similar Compounds
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Sources
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