- InChI
- InChI=1S/C9H8Cl2/c10-9(11)6-8(9)7-4-2-1-3-5-7/h1-5,8H,6H2
- InChI Key
- WLWFQGXZIDYWQF-UHFFFAOYSA-N
- Formula
- C9H8Cl2
- SMILES
- ClC1(Cl)CC1c1ccccc1
- Molecular Weight1
- 187.07
- CAS
- 2415-80-7
- Other Names
-
- (2,2-Dichlorocyclopropyl)-benzene
- 1,1-Dichloro-2-phenylcyclopropane
- Cyclopropane, 1,1-dichloro, 2-phenyl
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 88.89 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.70; 8.97] | eV |
|
| IE | 8.70 | eV | NIST |
| IE | 8.97 | eV | NIST |
| logPoct/wat | 3.348 | Crippen Calculated Property | |
| McVol | 127.530 | ml/mol | McGowan Calculated Property |
| Inp | [1260.00; 1261.00] |
|
|
| Inp | 1261.00 | NIST | |
| Inp | 1260.00 | NIST | |
| Inp | 1260.00 | NIST | |
| I | [1789.00; 1789.00] |
|
|
| I | 1789.00 | NIST | |
| I | 1789.00 | NIST | |
| Tboil | 497.88 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.25; 320.94] | J/mol×K | [509.37; 757.36] |
|
| Cp,gas | 255.25 | J/mol×K | 509.37 | Joback Calculated Property |
| Cp,gas | 268.85 | J/mol×K | 550.70 | Joback Calculated Property |
| Cp,gas | 281.11 | J/mol×K | 592.03 | Joback Calculated Property |
| Cp,gas | 292.23 | J/mol×K | 633.37 | Joback Calculated Property |
| Cp,gas | 302.43 | J/mol×K | 674.70 | Joback Calculated Property |
| Cp,gas | 311.93 | J/mol×K | 716.03 | Joback Calculated Property |
| Cp,gas | 320.94 | J/mol×K | 757.36 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 376.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 2,2-dichlorocyclopropyl-.
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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