- InChI
- InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2/b3-1+
- InChI Key
- HIILBTHBHCLUER-HNQUOIGGSA-N
- Formula
- C3H3Cl3
- SMILES
- ClC=C(Cl)CCl
- Molecular Weight1
- 145.41
- CAS
- 13116-58-0
- Other Names
-
- trans-1,2,3-Trichloro-1-propene
- 1,2,3-Trichloropropene, E-
- (1E)-1,2,3-Trichloro-1-propene
- trans-1,2,3-Trichloropropene
- 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 | 0.2564 | Relay (1.0) Calculated Property | |
| ΔfG° | 10.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -53.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.544 | Crippen Calculated Property | |
| McVol | 85.550 | ml/mol | McGowan Calculated Property |
| Pc | 4109.14 | kPa | Joback Calculated Property |
| Inp | [895.00; 895.00] |
|
|
| Inp | 895.00 | NIST | |
| Inp | 895.00 | NIST | |
| Tboil | 417.19 | K | Relay (1.0) Calculated Property |
| Tc | 642.24 | K | Relay (1.0) Calculated Property |
| Tfus | 243.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.302 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [95.49; 168.06] | 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 | 2.49610e+01 | |||
| Coefficient B | 3.29100e-01 | |||
| Coefficient C | -2.86700e-04 | |||
| Coefficient D | 1.00700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 95.49 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 109.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 122.10 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 132.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 140.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 147.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 153.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 158.70 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 163.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 168.06 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 1,2,3-trichloro-, (E)-.
Sources
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