- InChI
- InChI=1S/C3H4Cl2/c1-2-3(4)5/h2H,1H3
- InChI Key
- ZAIDIVBQUMFXEC-UHFFFAOYSA-N
- Formula
- C3H4Cl2
- SMILES
- CC=C(Cl)Cl
- Molecular Weight1
- 110.97
- CAS
- 563-58-6
- Other Names
-
- 1,1-Dichloropropene
- 1,1-dichloro-1-propene
- 1,1-dichloropropylene
- Propene, 1,1-dichloro-
- 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).
- 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 | 0.1833 | Relay (1.0) Calculated Property | |
| ΔfG° | 22.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -26.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.41 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.325 | Crippen Calculated Property | |
| McVol | 73.310 | ml/mol | McGowan Calculated Property |
| Pc | 4311.22 | kPa | Joback Calculated Property |
| Inp | [642.00; 655.00] |
|
|
| Inp | 642.00 | NIST | |
| Inp | 655.00 | NIST | |
| Inp | 642.00 | NIST | |
| Tboil | 349.70 | K | NIST |
| Tc | 521.71 | K | Relay (1.0) Calculated Property |
| Tfus | 137.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.264 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [82.08; 159.79] | 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 | 1.20700e+01 | |||
| Coefficient B | 3.22320e-01 | |||
| Coefficient C | -2.66300e-04 | |||
| Coefficient D | 9.17000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 82.08 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 96.83 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 109.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 120.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 129.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 136.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 143.29 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 149.16 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 154.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 159.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [258.72; 371.73] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51080e+01 | |||
| Coefficient B | -3.26594e+03 | |||
| Coefficient C | -3.83530e+01 | |||
| Temperature range, min. | 258.72 | |||
| Temperature range, max. | 371.73 | |||
| Pvap | 1.33 | kPa | 258.72 | Calculated Property |
| Pvap | 2.96 | kPa | 271.28 | Calculated Property |
| Pvap | 6.07 | kPa | 283.83 | Calculated Property |
| Pvap | 11.60 | kPa | 296.39 | Calculated Property |
| Pvap | 20.87 | kPa | 308.95 | Calculated Property |
| Pvap | 35.65 | kPa | 321.50 | Calculated Property |
| Pvap | 58.18 | kPa | 334.06 | Calculated Property |
| Pvap | 91.23 | kPa | 346.62 | Calculated Property |
| Pvap | 138.11 | kPa | 359.17 | Calculated Property |
| Pvap | 202.65 | kPa | 371.73 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propene, 1,1-dichloro-.
Mixtures
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Determination of Henry's Law Constants Using Internal Standards with Benchmark Values
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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