- InChI
- InChI=1S/C4H6Cl2/c1-3(2)4(5)6/h4H,1H2,2H3
- InChI Key
- IBOBCGSJCSKTKP-UHFFFAOYSA-N
- Formula
- C4H6Cl2
- SMILES
- C=C(C)C(Cl)Cl
- Molecular Weight1
- 125.00
- CAS
- 22227-75-4
- Other Names
-
- 3,3-dichloro-2-methyl-1-propene
- 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 | 0.2176 | Relay (1.0) Calculated Property | |
| ΔfG° | 35.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -66.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.366 | Crippen Calculated Property | |
| McVol | 87.400 | ml/mol | McGowan Calculated Property |
| Pc | 3805.69 | kPa | Joback Calculated Property |
| Inp | 726.00 | NIST | |
| Tboil | 374.87 | K | Relay (1.0) Calculated Property |
| Tc | 576.74 | K | Relay (1.0) Calculated Property |
| Tfus | 164.68 | K | Relay (1.0) Calculated Property |
| Vc | 0.325 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [107.18; 213.99] | 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 | 2.06700e+01 | |||
| Coefficient B | 3.83220e-01 | |||
| Coefficient C | -2.63000e-04 | |||
| Coefficient D | 7.31000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 107.18 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 126.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 143.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 158.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 171.14 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 182.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 191.84 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 200.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 207.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 213.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [283.92; 418.28] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.41662e+01 | |||
| Coefficient B | -3.28659e+03 | |||
| Coefficient C | -4.71100e+01 | |||
| Temperature range, min. | 283.92 | |||
| Temperature range, max. | 418.28 | |||
| Pvap | 1.33 | kPa | 283.92 | Calculated Property |
| Pvap | 3.04 | kPa | 298.85 | Calculated Property |
| Pvap | 6.31 | kPa | 313.78 | Calculated Property |
| Pvap | 12.12 | kPa | 328.71 | Calculated Property |
| Pvap | 21.81 | kPa | 343.64 | Calculated Property |
| Pvap | 37.11 | kPa | 358.56 | Calculated Property |
| Pvap | 60.13 | kPa | 373.49 | Calculated Property |
| Pvap | 93.40 | kPa | 388.42 | Calculated Property |
| Pvap | 139.83 | kPa | 403.35 | Calculated Property |
| Pvap | 202.66 | kPa | 418.28 | Calculated Property |
Similar Compounds
Find more compounds similar to Propene, 3,3-dichloro-2-methyl-.
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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