- InChI
- InChI=1S/C3H4Cl2/c1-2-3(4)5/h2-3H,1H2
- InChI Key
- VRTNIWBNFSHDEB-UHFFFAOYSA-N
- Formula
- C3H4Cl2
- SMILES
- C=CC(Cl)Cl
- Molecular Weight1
- 110.97
- CAS
- 563-57-5
- Other Names
-
- 1,1-Dichloro-3-propene
- 3,3-Dichloro-1-propene
- 3,3-Dichloropropene
- 3,3-Dichloropropylene
- Propene, 3,3-dichloro-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -37.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.12 | kJ/mol | Joback Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.976 | Crippen Calculated Property | |
| McVol | 73.310 | ml/mol | McGowan Calculated Property |
| Inp | 656.00 | NIST | |
| Tboil | 355.15 ± 2.00 | K | NIST |
| Tfus | 148.34 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [85.81; 162.67] | 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 | 2.12700e+01 | |||
| Coefficient B | 2.88300e-01 | |||
| Coefficient C | -2.06300e-04 | |||
| Coefficient D | 5.94000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 85.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 100.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 112.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 123.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 132.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 140.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 147.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 152.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 158.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 162.67 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0051701; 0.0002563] | Pa×s | [166.65; 371.36] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.07147e+01 | |||
| Coefficient B | 9.08220e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 166.65 | |||
| Temperature range, max. | 371.36 | |||
| η | 0.0051701 | Pa×s | 166.65 | Calculated Property |
| η | 0.0026869 | Pa×s | 189.40 | Calculated Property |
| η | 0.0016068 | Pa×s | 212.14 | Calculated Property |
| η | 0.0010615 | Pa×s | 234.89 | Calculated Property |
| η | 0.0007545 | Pa×s | 257.63 | Calculated Property |
| η | 0.0005668 | Pa×s | 280.38 | Calculated Property |
| η | 0.0004445 | Pa×s | 303.12 | Calculated Property |
| η | 0.0003606 | Pa×s | 325.87 | Calculated Property |
| η | 0.0003007 | Pa×s | 348.61 | Calculated Property |
| η | 0.0002563 | Pa×s | 371.36 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 222.76] | kPa | [265.04; 379.93] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54075e+01 | |||
| Coefficient B | -3.39428e+03 | |||
| Coefficient C | -4.05490e+01 | |||
| Temperature range, min. | 265.04 | |||
| Temperature range, max. | 379.93 | |||
| Pvap | 1.33 | kPa | 265.04 | Calculated Property |
| Pvap | 3.01 | kPa | 277.81 | Calculated Property |
| Pvap | 6.24 | kPa | 290.57 | Calculated Property |
| Pvap | 12.07 | kPa | 303.34 | Calculated Property |
| Pvap | 21.96 | kPa | 316.10 | Calculated Property |
| Pvap | 37.90 | kPa | 328.87 | Calculated Property |
| Pvap | 62.43 | kPa | 341.63 | Calculated Property |
| Pvap | 98.74 | kPa | 354.40 | Calculated Property |
| Pvap | 150.69 | kPa | 367.16 | Calculated Property |
| Pvap | 222.76 | kPa | 379.93 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 3,3-dichloro-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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