- InChI
- InChI=1S/C4H5F3/c1-3(2)4(5,6)7/h1H2,2H3
- InChI Key
- VJOAJCOCCYFXPR-UHFFFAOYSA-N
- Formula
- C4H5F3
- SMILES
- C=C(C)C(F)(F)F
- Molecular Weight1
- 110.08
- CAS
- 374-00-5
- Other Names
-
- Propene, 3,3,3-trifluoro-2-methyl-
- 3,3,3-Trifluoro-2-methylpropene
- CH3C(CF3)=CH2
- 2-Trifluoromethylpropene
- 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).
- 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 | 0.1900 | Relay (1.0) Calculated Property | |
| ΔfG° | -519.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -655.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 21.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.125 | Crippen Calculated Property | |
| McVol | 68.230 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Tboil | 279.50 ± 0.50 | K | NIST |
| Tc | 409.34 | K | Relay (1.0) Calculated Property |
| Tfus | 118.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.257 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [103.82; 219.59] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -9.63000e+00 | |||
| Coefficient B | 5.24920e-01 | |||
| Coefficient C | -4.40000e-04 | |||
| Coefficient D | 1.44300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 103.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 127.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 147.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 163.78 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 177.49 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 188.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 198.26 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 206.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 213.18 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 219.59 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 3,3,3-trifluoro-2-methyl-.
Sources
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