- InChI
- InChI=1S/C3H3Cl3O2/c4-1-8-3(7)2(5)6/h2H,1H2
- InChI Key
- FVCUMUOCIBFJLZ-UHFFFAOYSA-N
- Formula
- C3H3Cl3O2
- SMILES
- O=C(OCCl)C(Cl)Cl
- Molecular Weight1
- 177.41
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (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 | 0.3962 | Relay (1.0) Calculated Property | |
| ΔfG° | -297.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.99 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.530 | Crippen Calculated Property | |
| McVol | 97.290 | ml/mol | McGowan Calculated Property |
| Pc | 4093.38 | kPa | Joback Calculated Property |
| Inp | [926.00; 976.00] |
|
|
| Inp | 960.00 | NIST | |
| Inp | 926.00 | NIST | |
| Inp | 962.00 | NIST | |
| Inp | 976.00 | NIST | |
| Inp | 960.00 | NIST | |
| I | [1687.00; 1706.00] |
|
|
| I | 1687.00 | NIST | |
| I | 1705.00 | NIST | |
| I | 1695.00 | NIST | |
| I | 1706.00 | NIST | |
| I | 1700.00 | NIST | |
| Tboil | 452.43 | K | Relay (1.0) Calculated Property |
| Tc | 670.82 | K | Relay (1.0) Calculated Property |
| Tfus | 261.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.346 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.51; 182.30] | J/mol×K | [456.18; 664.45] |
|
| Cp,gas | 155.51 | J/mol×K | 456.18 | Joback Calculated Property |
| Cp,gas | 160.55 | J/mol×K | 490.89 | Joback Calculated Property |
| Cp,gas | 165.36 | J/mol×K | 525.60 | Joback Calculated Property |
| Cp,gas | 169.94 | J/mol×K | 560.31 | Joback Calculated Property |
| Cp,gas | 174.30 | J/mol×K | 595.02 | Joback Calculated Property |
| Cp,gas | 178.42 | J/mol×K | 629.73 | Joback Calculated Property |
| Cp,gas | 182.30 | J/mol×K | 664.45 | Joback Calculated Property |
| η | [0.0003719; 0.0036245] | Pa×s | [270.49; 456.18] |
|
| η | 0.0036245 | Pa×s | 270.49 | Joback Calculated Property |
| η | 0.0020410 | Pa×s | 301.44 | Joback Calculated Property |
| η | 0.0012790 | Pa×s | 332.39 | Joback Calculated Property |
| η | 0.0008680 | Pa×s | 363.34 | Joback Calculated Property |
| η | 0.0006260 | Pa×s | 394.28 | Joback Calculated Property |
| η | 0.0004734 | Pa×s | 425.23 | Joback Calculated Property |
| η | 0.0003719 | Pa×s | 456.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to chloromethyl dichloroacetate.
Sources
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