- InChI
- InChI=1S/C11H11F7O2/c1-3-5-7(6-4-2)20-8(19)9(12,13)10(14,15)11(16,17)18/h3-4,7H,1-2,5-6H2
- InChI Key
- PHJAIHWJRQETNC-UHFFFAOYSA-N
- Formula
- C11H11F7O2
- SMILES
-
C=CCC(CC=C)OC(=O)C(F)(F)C(F)(F
)C(F)(F)F - Molecular Weight1
- 308.19
- 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 | 0.4740 | Relay (1.0) Calculated Property | |
| ΔfG° | -1374.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1816.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.883 | Crippen Calculated Property | |
| McVol | 177.080 | ml/mol | McGowan Calculated Property |
| Pc | 1744.82 | kPa | Joback Calculated Property |
| Inp | 915.60 | NIST | |
| Tboil | 422.16 | K | Relay (1.0) Calculated Property |
| Tc | 545.54 | K | Relay (1.0) Calculated Property |
| Tfus | 198.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.612 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.99; 510.18] | J/mol×K | [505.49; 660.65] | 
|
| Cp,gas | 443.99 | J/mol×K | 505.49 | Joback Calculated Property |
| Cp,gas | 456.82 | J/mol×K | 531.35 | Joback Calculated Property |
| Cp,gas | 468.88 | J/mol×K | 557.21 | Joback Calculated Property |
| Cp,gas | 480.22 | J/mol×K | 583.07 | Joback Calculated Property |
| Cp,gas | 490.86 | J/mol×K | 608.93 | Joback Calculated Property |
| Cp,gas | 500.83 | J/mol×K | 634.79 | Joback Calculated Property |
| Cp,gas | 510.18 | J/mol×K | 660.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Heptadien-4-ol , heptafluorobutyrate.
Sources
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