- InChI
- InChI=1S/C4H5Cl3/c1-3(2)4(5,6)7/h1H2,2H3
- InChI Key
- AIZNASPCDNJRSP-UHFFFAOYSA-N
- Formula
- C4H5Cl3
- SMILES
- C=C(C)C(Cl)(Cl)Cl
- Molecular Weight1
- 159.44
- CAS
- 4749-27-3
- Other Names
-
- Propene, 3,3,3-trichloro-2-methyl-
- 3,3,3-Trichloro-2-methylpropene
- 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 | 0.1789 | Relay (1.0) Calculated Property | |
| ΔfG° | 29.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.933 | Crippen Calculated Property | |
| McVol | 99.640 | ml/mol | McGowan Calculated Property |
| Pc | 3686.49 | kPa | Joback Calculated Property |
| Inp | 836.00 | NIST | |
| Tboil | 392.72 | K | Relay (1.0) Calculated Property |
| Tc | 584.94 | K | Relay (1.0) Calculated Property |
| Tfus | 222.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.360 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [119.43; 223.19] | 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 | 1.07700e+01 | |||
| Coefficient B | 5.09920e-01 | |||
| Coefficient C | -4.52000e-04 | |||
| Coefficient D | 1.54500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 119.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 141.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 159.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 174.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 186.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 196.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 204.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 211.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 217.58 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 223.19 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 3,3,3-trichloro-2-methyl-.
Sources
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