- InChI
- InChI=1S/C18H15F5O2/c1-2-3-4-5-10-6-8-11(9-7-10)25-18(24)12-13(19)15(21)17(23)16(22)14(12)20/h6-9H,2-5H2,1H3
- InChI Key
- BIPGSYCSVJZLPI-UHFFFAOYSA-N
- Formula
- C18H15F5O2
- SMILES
-
CCCCCc1ccc(OC(=O)c2c(F)c(F)c(F
)c(F)c2F)cc1 - Molecular Weight1
- 358.30
- 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 | 0.8462 | Relay (1.0) Calculated Property | |
| ΔfG° | -940.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1041.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.334 | Crippen Calculated Property | |
| McVol | 233.250 | ml/mol | McGowan Calculated Property |
| Pc | 1534.26 | kPa | Joback Calculated Property |
| Inp | [1973.00; 1979.70] |
|
|
| Inp | 1973.00 | NIST | |
| Inp | 1976.30 | NIST | |
| Inp | 1979.70 | NIST | |
| Inp | 1973.00 | NIST | |
| Tboil | 608.57 | K | Relay (1.0) Calculated Property |
| Tc | 823.16 | K | Relay (1.0) Calculated Property |
| Tfus | 292.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.864 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [659.78; 725.65] | J/mol×K | [767.12; 960.70] |
|
| Cp,gas | 659.78 | J/mol×K | 767.12 | Joback Calculated Property |
| Cp,gas | 672.81 | J/mol×K | 799.38 | Joback Calculated Property |
| Cp,gas | 685.00 | J/mol×K | 831.65 | Joback Calculated Property |
| Cp,gas | 696.37 | J/mol×K | 863.91 | Joback Calculated Property |
| Cp,gas | 706.92 | J/mol×K | 896.17 | Joback Calculated Property |
| Cp,gas | 716.68 | J/mol×K | 928.44 | Joback Calculated Property |
| Cp,gas | 725.65 | J/mol×K | 960.70 | Joback Calculated Property |
Similar Compounds
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Sources
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