- InChI
- InChI=1S/C9H11F5O2/c1-2-3-4-5-6-16-7(15)8(10,11)9(12,13)14/h3-4H,2,5-6H2,1H3/b4-3+
- InChI Key
- OVQXQNIONBVMIU-ONEGZZNKSA-N
- Formula
- C9H11F5O2
- SMILES
- CCC=CCCOC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 246.17
- 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° | -1097.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1354.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.06 | kJ/mol | Joback Calculated Property |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 3.083 | Crippen Calculated Property | |
| McVol | 149.660 | ml/mol | McGowan Calculated Property |
| Pc | 2121.68 | kPa | Joback Calculated Property |
| Inp | 881.80 | NIST | |
| Tboil | 475.66 | K | Joback Calculated Property |
| Tc | 635.86 | K | Joback Calculated Property |
| Tfus | 266.06 | K | Joback Calculated Property |
| Vc | 0.612 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.02; 415.95] | J/mol×K | [475.66; 635.86] | 
|
| Cp,gas | 353.02 | J/mol×K | 475.66 | Joback Calculated Property |
| Cp,gas | 365.07 | J/mol×K | 502.36 | Joback Calculated Property |
| Cp,gas | 376.47 | J/mol×K | 529.06 | Joback Calculated Property |
| Cp,gas | 387.22 | J/mol×K | 555.76 | Joback Calculated Property |
| Cp,gas | 397.37 | J/mol×K | 582.46 | Joback Calculated Property |
| Cp,gas | 406.94 | J/mol×K | 609.16 | Joback Calculated Property |
| Cp,gas | 415.95 | J/mol×K | 635.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-Hexen-1-ol, pentafluoropropionate.
Sources
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