- InChI
- InChI=1S/C10H10Cl2/c11-10(12)7-9(10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
- InChI Key
- DGWQDTVVILBZOP-UHFFFAOYSA-N
- Formula
- C10H10Cl2
- SMILES
- ClC1(Cl)CC1Cc1ccccc1
- Molecular Weight1
- 201.09
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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 |
|---|---|---|---|
| ΔfusH° | 17.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.423 | Crippen Calculated Property | |
| McVol | 141.620 | ml/mol | McGowan Calculated Property |
| Inp | 1365.00 | NIST | |
| I | 1907.00 | NIST | |
| Tboil | 516.27 | K | Relay (1.0) Calculated Property |
| Tfus | 252.28 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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 | [162.07; 426.98] | 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 | -1.08619e+02 | |||
| Coefficient B | 1.30480e+00 | |||
| Coefficient C | -1.28960e-03 | |||
| Coefficient D | 5.20400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.07 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 214.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 257.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 292.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 321.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 345.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 366.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 385.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 405.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 426.98 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclopropane, 1,1-dichloro-2-(phenylmethyl).
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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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