- InChI
- InChI=1S/C6H8Cl2O2/c1-5(4(9)10-2)3-6(5,7)8/h3H2,1-2H3
- InChI Key
- JGCAZFUFORGMFB-UHFFFAOYSA-N
- Formula
- C6H8Cl2O2
- SMILES
- COC(=O)C1(C)CC1(Cl)Cl
- Molecular Weight1
- 183.03
- CAS
- 1447-13-8
- Other Names
-
- Methyl 2,2-dichloro-1-methylcyclopropanecarboxylate
- 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 | 0.3424 | Relay (... Calculated Property | |
| ΔfG° | -216.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -412.06 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 9.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.72 | kJ/mol | Relay (... Calculated Property |
| IE | 9.94 | eV | Relay (... Calculated Property |
| log10WS | -2.36 | Relay (... Calculated Property | |
| logPoct/wat | 1.743 | Crippen Calculated Property | |
| McVol | 116.460 | ml/mol | McGowan Calculated Property |
| Pc | 3740.80 | kPa | Joback Calculated Property |
| Tboil | 448.58 | K | Relay (... Calculated Property |
| Tc | 669.62 | K | Relay (... Calculated Property |
| Tfus | 314.55 | K | Relay (... Calculated Property |
| Vc | 0.408 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.61; 283.75] | J/mol×K | [490.38; 713.66] | 
|
| Cp,gas | 235.61 | J/mol×K | 490.38 | Joback Calculated Property |
| Cp,gas | 245.46 | J/mol×K | 527.59 | Joback Calculated Property |
| Cp,gas | 254.30 | J/mol×K | 564.81 | Joback Calculated Property |
| Cp,gas | 262.34 | J/mol×K | 602.02 | Joback Calculated Property |
| Cp,gas | 269.78 | J/mol×K | 639.23 | Joback Calculated Property |
| Cp,gas | 276.85 | J/mol×K | 676.45 | Joback Calculated Property |
| Cp,gas | 283.75 | J/mol×K | 713.66 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 347.20 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to Cyclopropanecarboxylic acid, 2,2-dichloro-1-methyl-, methyl ester.
Sources
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