- InChI
- InChI=1S/C29H45F3O3/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)35-28)34-27(33)29(30,31)32/h18-22H,7-17H2,1-6H3
- InChI Key
- BOTDPLUNGSNVJI-UHFFFAOYSA-N
- Formula
- C29H45F3O3
- SMILES
-
Cc1cc(OC(=O)C(F)(F)F)cc2c1OC(C
)(CCCC(C)CCCC(C)CCCC(C)C)CC2 - Molecular Weight1
- 498.66
- 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 | 1.0252 | Relay (1.0) Calculated Property | |
| ΔfG° | -588.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1495.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.986 | Crippen Calculated Property | |
| McVol | 403.470 | ml/mol | McGowan Calculated Property |
| Pc | 784.19 | kPa | Joback Calculated Property |
| Inp | 2738.00 | NIST | |
| Tboil | 686.01 | K | Relay (1.0) Calculated Property |
| Tc | 875.71 | K | Relay (1.0) Calculated Property |
| Tfus | 320.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.484 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1436.15; 1586.78] | J/mol×K | [1012.29; 1240.19] | 
|
| Cp,gas | 1436.15 | J/mol×K | 1012.29 | Joback Calculated Property |
| Cp,gas | 1461.07 | J/mol×K | 1050.27 | Joback Calculated Property |
| Cp,gas | 1485.78 | J/mol×K | 1088.26 | Joback Calculated Property |
| Cp,gas | 1510.49 | J/mol×K | 1126.24 | Joback Calculated Property |
| Cp,gas | 1535.41 | J/mol×K | 1164.22 | Joback Calculated Property |
| Cp,gas | 1560.77 | J/mol×K | 1202.20 | Joback Calculated Property |
| Cp,gas | 1586.78 | J/mol×K | 1240.19 | Joback Calculated Property |
Similar Compounds
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Sources
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