- InChI
- InChI=1S/C3H4Cl2/c4-3(5)1-2-3/h1-2H2
- InChI Key
- MZJYQXPULRLGCA-UHFFFAOYSA-N
- Formula
- C3H4Cl2
- SMILES
- ClC1(Cl)CC1
- Molecular Weight1
- 110.97
- CAS
- 2088-35-9
- Other Names
-
- 1,1-dichlorocyclopropane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -1772.20 ± 1.20 | kJ/mol | NIST |
| ΔfH°gas | -16.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -27.00 ± 1.20 | kJ/mol | NIST |
| ΔfusH° | 3.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.29 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.954 | Crippen Calculated Property | |
| McVol | 66.750 | ml/mol | McGowan Calculated Property |
| Tboil | 348.70 ± 0.30 | K | NIST |
| Tfus | 235.68 ± 0.30 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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 | [68.56; 177.71] | 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 | -7.42900e+01 | |||
| Coefficient B | 7.45200e-01 | |||
| Coefficient C | -9.33000e-04 | |||
| Coefficient D | 4.39800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 68.56 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 92.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 109.44 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 122.15 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 131.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 139.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 146.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 153.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 163.96 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 177.71 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropane, 1,1-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
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