- InChI
- InChI=1S/C30H45F5O3/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)38-28)37-27(36)29(31,32)30(33,34)35/h18-22H,7-17H2,1-6H3
- InChI Key
- HHBPUONUQXMRJU-UHFFFAOYSA-N
- Formula
- C30H45F5O3
- SMILES
-
Cc1cc(OC(=O)C(F)(F)C(F)(F)F)cc
2c1OC(C)(CCCC(C)CCCC(C)CCCC(C) C)CC2 - Molecular Weight1
- 548.67
- 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° | -967.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1769.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.39 | kJ/mol | Joback Calculated Property |
| log10WS | -10.98 | Crippen Calculated Property | |
| logPoct/wat | 9.621 | Crippen Calculated Property | |
| McVol | 421.100 | ml/mol | McGowan Calculated Property |
| Pc | 715.68 | kPa | Joback Calculated Property |
| Inp | 2726.00 | NIST | |
| Tboil | 1030.48 | K | Joback Calculated Property |
| Tc | 1265.90 | K | Joback Calculated Property |
| Tfus | 591.68 | K | Joback Calculated Property |
| Vc | 1.649 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1515.70; 1678.74] | J/mol×K | [1030.48; 1265.90] | 
|
| Cp,gas | 1515.70 | J/mol×K | 1030.48 | Joback Calculated Property |
| Cp,gas | 1541.89 | J/mol×K | 1069.72 | Joback Calculated Property |
| Cp,gas | 1568.10 | J/mol×K | 1108.95 | Joback Calculated Property |
| Cp,gas | 1594.62 | J/mol×K | 1148.19 | Joback Calculated Property |
| Cp,gas | 1621.71 | J/mol×K | 1187.43 | Joback Calculated Property |
| Cp,gas | 1649.66 | J/mol×K | 1226.66 | Joback Calculated Property |
| Cp,gas | 1678.74 | J/mol×K | 1265.90 | Joback Calculated Property |
Similar Compounds
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Sources
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