- InChI
- InChI=1S/C4H5ClO2/c1-3(5)4(6)7-2/h1H2,2H3
- InChI Key
- AWJZTPWDQYFQPQ-UHFFFAOYSA-N
- Formula
- C4H5ClO2
- SMILES
- C=C(Cl)C(=O)OC
- Molecular Weight1
- 120.53
- CAS
- 80-63-7
- Other Names
-
- Acrylic acid, 2-chloro-, methyl ester
- Methyl «alpha»-chloroacrylate
- Methyl 2-chloroacrylate
- 2-Chloroacrylic acid, methyl ester
- Methylester kyseliny 2-chlorakrylove
- Methyl 2-chloropropenoate
- Methyl 2-chloro-2-propenoate
- NSC 32608
- Methyl alpha-chloro acrylate
- 2-Chloropropenoic 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 | 0.3558 | Relay (1.0) Calculated Property | |
| ΔfG° | -183.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.912 | Crippen Calculated Property | |
| McVol | 82.600 | ml/mol | McGowan Calculated Property |
| Pc | 4183.90 | kPa | Joback Calculated Property |
| Inp | [748.00; 766.00] |
|
|
| Inp | 748.00 | NIST | |
| Inp | 766.00 | NIST | |
| I | [1226.00; 1226.00] |
|
|
| I | 1226.00 | NIST | |
| I | 1226.00 | NIST | |
| Tboil | 389.33 | K | Relay (1.0) Calculated Property |
| Tc | 582.43 | K | Relay (1.0) Calculated Property |
| Tfus | 272.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.299 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [136.77; 170.10] | J/mol×K | [401.20; 596.73] |
|
| Cp,gas | 136.77 | J/mol×K | 401.20 | Joback Calculated Property |
| Cp,gas | 142.91 | J/mol×K | 433.79 | Joback Calculated Property |
| Cp,gas | 148.80 | J/mol×K | 466.38 | Joback Calculated Property |
| Cp,gas | 154.47 | J/mol×K | 498.97 | Joback Calculated Property |
| Cp,gas | 159.91 | J/mol×K | 531.55 | Joback Calculated Property |
| Cp,gas | 165.12 | J/mol×K | 564.14 | Joback Calculated Property |
| Cp,gas | 170.10 | J/mol×K | 596.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propenoic acid, 2-chloro-, methyl ester.
Sources
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