- InChI
- InChI=1S/C3H3Cl3/c1-2(4)3(5)6/h1H3
- InChI Key
- LIPPKMMVZOHCIF-UHFFFAOYSA-N
- Formula
- C3H3Cl3
- SMILES
- CC(Cl)=C(Cl)Cl
- Molecular Weight1
- 145.41
- CAS
- 21400-25-9
- Other Names
-
- 1,1,2-Trichloro-1-propene
- 1,1,2-Trichloropropene
- Propene, 1,1,2-trichloro-
- 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).
- Pvap : Vapor 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 | 0.2058 | Relay (... Calculated Property | |
| ΔfG° | 1.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -33.40 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.41 | kJ/mol | Relay (... Calculated Property |
| IE | 9.07 | eV | Relay (... Calculated Property |
| log10WS | -2.80 | Relay (... Calculated Property | |
| logPoct/wat | 2.892 | Crippen Calculated Property | |
| McVol | 85.550 | ml/mol | McGowan Calculated Property |
| Pc | 4135.61 | kPa | Joback Calculated Property |
| Tboil | 387.38 | K | Relay (... Calculated Property |
| Tc | 586.02 | K | Relay (... Calculated Property |
| Tfus | 236.34 | K | Relay (... Calculated Property |
| Vc | 0.308 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [114.84; 140.31] | J/mol×K | [384.25; 594.98] | 
|
| Cp,gas | 114.84 | J/mol×K | 384.25 | Joback Calculated Property |
| Cp,gas | 119.98 | J/mol×K | 419.37 | Joback Calculated Property |
| Cp,gas | 124.73 | J/mol×K | 454.49 | Joback Calculated Property |
| Cp,gas | 129.11 | J/mol×K | 489.61 | Joback Calculated Property |
| Cp,gas | 133.15 | J/mol×K | 524.73 | Joback Calculated Property |
| Cp,gas | 136.88 | J/mol×K | 559.86 | Joback Calculated Property |
| Cp,gas | 140.31 | J/mol×K | 594.98 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [284.92; 424.14] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.37927e+01 | |||
| Coefficient B | -3.17411e+03 | |||
| Coefficient C | -4.98900e+01 | |||
| Temperature range, min. | 284.92 | |||
| Temperature range, max. | 424.14 | |||
| Pvap | 1.33 | kPa | 284.92 | Calculated Property |
| Pvap | 3.07 | kPa | 300.39 | Calculated Property |
| Pvap | 6.41 | kPa | 315.86 | Calculated Property |
| Pvap | 12.36 | kPa | 331.33 | Calculated Property |
| Pvap | 22.24 | kPa | 346.80 | Calculated Property |
| Pvap | 37.77 | kPa | 362.26 | Calculated Property |
| Pvap | 61.00 | kPa | 377.73 | Calculated Property |
| Pvap | 94.36 | kPa | 393.20 | Calculated Property |
| Pvap | 140.58 | kPa | 408.67 | Calculated Property |
| Pvap | 202.65 | kPa | 424.14 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 1,1,2-trichloro-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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