- InChI
- InChI=1S/C10H10Cl2/c1-9(7-10(9,11)12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
- InChI Key
- NXYPRVQXSWVEOB-UHFFFAOYSA-N
- Formula
- C10H10Cl2
- SMILES
- CC1(c2ccccc2)CC1(Cl)Cl
- Molecular Weight1
- 201.09
- CAS
- 3591-42-2
- Other Names
-
- (2,2-Dichloro-1-methylcyclopropyl)benzene
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.2923 | Relay (... Calculated Property | |
| ΔfG° | 163.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 70.53 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 10.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.42 | kJ/mol | Relay (... Calculated Property |
| IE | 8.71 | eV | Relay (... Calculated Property |
| log10WS | -4.40 | Relay (... Calculated Property | |
| logPoct/wat | 3.522 | Crippen Calculated Property | |
| McVol | 141.620 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Tboil | 505.67 | K | Relay (... Calculated Property |
| Tc | 753.01 | K | Relay (... Calculated Property |
| Tfus | 288.43 | K | Relay (... Calculated Property |
| Vc | 0.506 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.45; 368.09] | J/mol×K | [532.29; 786.07] | 
|
| Cp,gas | 298.45 | J/mol×K | 532.29 | Joback Calculated Property |
| Cp,gas | 312.50 | J/mol×K | 574.59 | Joback Calculated Property |
| Cp,gas | 325.07 | J/mol×K | 616.88 | Joback Calculated Property |
| Cp,gas | 336.55 | J/mol×K | 659.18 | Joback Calculated Property |
| Cp,gas | 347.29 | J/mol×K | 701.48 | Joback Calculated Property |
| Cp,gas | 357.68 | J/mol×K | 743.77 | Joback Calculated Property |
| Cp,gas | 368.09 | J/mol×K | 786.07 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 349.20 | K | 0.10 | NIST |
Similar Compounds
Find more compounds similar to Benzene, (2,2-dichloro-1-methylcyclopropyl)-.
Sources
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