- InChI
- InChI=1S/C4H4Cl2O2/c1-8-4(7)3(6)2-5/h2H,1H3/b3-2+
- InChI Key
- DHANPGDOODFCAZ-NSCUHMNNSA-N
- Formula
- C4H4Cl2O2
- SMILES
- COC(=O)C(Cl)=CCl
- Molecular Weight1
- 154.98
- CAS
- 3533-70-8
- Other Names
-
- Methyl trans-2,3-dichloropropenoate
- trans-2,3-Dichloropropenoic acid, methyl ester
- 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).
- 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 | 0.3763 | Relay (1.0) Calculated Property | |
| ΔfG° | -203.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -343.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.478 | Crippen Calculated Property | |
| McVol | 94.840 | ml/mol | McGowan Calculated Property |
| Pc | 4041.50 | kPa | Joback Calculated Property |
| Inp | [917.00; 919.00] |
|
|
| Inp | 919.00 | NIST | |
| Inp | 917.00 | NIST | |
| I | [1464.00; 1473.00] |
|
|
| I | 1473.00 | NIST | |
| I | 1464.00 | NIST | |
| Tboil | 437.22 | K | Relay (1.0) Calculated Property |
| Tc | 640.42 | K | Relay (1.0) Calculated Property |
| Tfus | 297.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.333 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.02; 186.82] | J/mol×K | [446.11; 654.71] |
|
| Cp,gas | 155.02 | J/mol×K | 446.11 | Joback Calculated Property |
| Cp,gas | 161.10 | J/mol×K | 480.88 | Joback Calculated Property |
| Cp,gas | 166.85 | J/mol×K | 515.64 | Joback Calculated Property |
| Cp,gas | 172.29 | J/mol×K | 550.41 | Joback Calculated Property |
| Cp,gas | 177.42 | J/mol×K | 585.18 | Joback Calculated Property |
| Cp,gas | 182.26 | J/mol×K | 619.95 | Joback Calculated Property |
| Cp,gas | 186.82 | J/mol×K | 654.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl E-2,3-dichloropropenoate.
Sources
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