- InChI
- InChI=1S/C8H9F5O2/c1-5(2)3-4-15-6(14)7(9,10)8(11,12)13/h3H,4H2,1-2H3
- InChI Key
- IHVNTTPIHTZFEC-UHFFFAOYSA-N
- Formula
- C8H9F5O2
- SMILES
- CC(C)=CCOC(=O)C(F)(F)C(F)(F)F
- Molecular Weight1
- 232.15
- 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 | 0.4014 | Relay (1.0) Calculated Property | |
| ΔfG° | -1114.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1444.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.693 | Crippen Calculated Property | |
| McVol | 135.570 | ml/mol | McGowan Calculated Property |
| Pc | 2333.78 | kPa | Joback Calculated Property |
| Inp | 936.60 | NIST | |
| Tboil | 397.06 | K | Relay (1.0) Calculated Property |
| Tc | 522.62 | K | Relay (1.0) Calculated Property |
| Tfus | 222.18 | K | Relay (1.0) Calculated Property |
| Vc | 0.485 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [309.99; 369.47] | J/mol×K | [452.66; 616.38] | 
|
| Cp,gas | 309.99 | J/mol×K | 452.66 | Joback Calculated Property |
| Cp,gas | 321.47 | J/mol×K | 479.95 | Joback Calculated Property |
| Cp,gas | 332.28 | J/mol×K | 507.23 | Joback Calculated Property |
| Cp,gas | 342.46 | J/mol×K | 534.52 | Joback Calculated Property |
| Cp,gas | 352.03 | J/mol×K | 561.81 | Joback Calculated Property |
| Cp,gas | 361.02 | J/mol×K | 589.10 | Joback Calculated Property |
| Cp,gas | 369.47 | J/mol×K | 616.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-2-buten-1-ol, pentafluoropropionate.
Sources
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