- InChI
- InChI=1S/C9H9F7O2/c1-3-4-5(2)18-6(17)7(10,11)8(12,13)9(14,15)16/h3,5H,1,4H2,2H3
- InChI Key
- SJUYEKPGHWNASC-UHFFFAOYSA-N
- Formula
- C9H9F7O2
- SMILES
-
C=CCC(C)OC(=O)C(F)(F)C(F)(F)C(
F)(F)F - Molecular Weight1
- 282.16
- 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 | 0.4457 | Relay (1.0) Calculated Property | |
| ΔfG° | -1478.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1868.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.327 | Crippen Calculated Property | |
| McVol | 153.200 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Inp | 780.20 | NIST | |
| Tboil | 390.25 | K | Relay (1.0) Calculated Property |
| Tc | 517.73 | K | Relay (1.0) Calculated Property |
| Tfus | 201.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.556 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.41; 434.26] | J/mol×K | [463.05; 616.48] | 
|
| Cp,gas | 371.41 | J/mol×K | 463.05 | Joback Calculated Property |
| Cp,gas | 383.57 | J/mol×K | 488.62 | Joback Calculated Property |
| Cp,gas | 395.02 | J/mol×K | 514.19 | Joback Calculated Property |
| Cp,gas | 405.78 | J/mol×K | 539.77 | Joback Calculated Property |
| Cp,gas | 415.89 | J/mol×K | 565.34 | Joback Calculated Property |
| Cp,gas | 425.37 | J/mol×K | 590.91 | Joback Calculated Property |
| Cp,gas | 434.26 | J/mol×K | 616.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Penten-2-ol, heptafluorobutyrate.
Sources
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