- 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-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.1886 | Relay (1.0) Calculated Property | |
| ΔfG° | 35.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -37.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.976 | Crippen Calculated Property | |
| McVol | 73.310 | ml/mol | McGowan Calculated Property |
| Pc | 4271.86 | kPa | Joback Calculated Property |
| Inp | 656.00 | NIST | |
| Tboil | 355.15 ± 2.00 | K | NIST |
| Tc | 542.48 | K | Relay (1.0) Calculated Property |
| Tfus | 148.39 | K | Relay (1.0) Calculated Property |
| Vc | 0.267 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [97.63; 124.99] | J/mol×K | [339.14; 530.20] | 
|
| Cp,gas | 97.63 | J/mol×K | 339.14 | Joback Calculated Property |
| Cp,gas | 102.86 | J/mol×K | 370.98 | Joback Calculated Property |
| Cp,gas | 107.81 | J/mol×K | 402.83 | Joback Calculated Property |
| Cp,gas | 112.49 | J/mol×K | 434.67 | Joback Calculated Property |
| Cp,gas | 116.90 | J/mol×K | 466.51 | Joback Calculated Property |
| Cp,gas | 121.06 | J/mol×K | 498.35 | Joback Calculated Property |
| Cp,gas | 124.99 | J/mol×K | 530.20 | Joback Calculated Property |
| η | [0.0003234; 0.0051701] | Pa×s | [166.65; 339.14] |
|
| η | 0.0051701 | Pa×s | 166.65 | Joback Calculated Property |
| η | 0.0023188 | Pa×s | 195.40 | Joback Calculated Property |
| η | 0.0012775 | Pa×s | 224.15 | Joback Calculated Property |
| η | 0.0008060 | Pa×s | 252.89 | Joback Calculated Property |
| η | 0.0005586 | Pa×s | 281.64 | Joback Calculated Property |
| η | 0.0004144 | Pa×s | 310.39 | Joback Calculated Property |
| η | 0.0003234 | Pa×s | 339.14 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 222.76] | kPa | [265.04; 379.93] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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