- InChI
- InChI=1S/C9H9F7O2/c1-5(2)3-4-18-6(17)7(10,11)8(12,13)9(14,15)16/h3H,4H2,1-2H3
- InChI Key
- BQWPOYIWRJFRHC-UHFFFAOYSA-N
- Formula
- C9H9F7O2
- SMILES
-
CC(C)=CCOC(=O)C(F)(F)C(F)(F)C(
F)(F)F - Molecular Weight1
- 282.16
- 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° | -1492.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1765.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.22 | kJ/mol | Joback Calculated Property |
| log10WS | -3.60 | Crippen Calculated Property | |
| logPoct/wat | 3.329 | Crippen Calculated Property | |
| McVol | 153.200 | ml/mol | McGowan Calculated Property |
| Pc | 1998.33 | kPa | Joback Calculated Property |
| Inp | 833.10 | NIST | |
| Tboil | 470.85 | K | Joback Calculated Property |
| Tc | 627.68 | K | Joback Calculated Property |
| Tfus | 255.70 | K | Joback Calculated Property |
| Vc | 0.637 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.09; 434.47] | J/mol×K | [470.85; 627.68] | 
|
| Cp,gas | 372.09 | J/mol×K | 470.85 | Joback Calculated Property |
| Cp,gas | 384.25 | J/mol×K | 496.99 | Joback Calculated Property |
| Cp,gas | 395.66 | J/mol×K | 523.13 | Joback Calculated Property |
| Cp,gas | 406.35 | J/mol×K | 549.27 | Joback Calculated Property |
| Cp,gas | 416.35 | J/mol×K | 575.41 | Joback Calculated Property |
| Cp,gas | 425.72 | J/mol×K | 601.54 | Joback Calculated Property |
| Cp,gas | 434.47 | J/mol×K | 627.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-buten-1-ol, heptafluorobutyrate.
Sources
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