- InChI
- InChI=1S/C5H7ClO2/c1-3-4(6)5(7)8-2/h3H,1-2H3/b4-3-
- InChI Key
- NTMJDABWJARASG-ARJAWSKDSA-N
- Formula
- C5H7ClO2
- SMILES
- C/C=C(\Cl)C(=O)OC
- Molecular Weight1
- 134.56
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3561 | Relay (1.0) Calculated Property | |
| ΔfH°gas | -345.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.302 | Crippen Calculated Property | |
| McVol | 96.690 | ml/mol | McGowan Calculated Property |
| Pc | 3754.57 | kPa | Joback Calculated Property |
| Inp | [874.00; 888.00] |
|
|
| Inp | 874.00 | NIST | |
| Inp | 888.00 | NIST | |
| Tboil | 408.91 | K | Relay (1.0) Calculated Property |
| Tc | 617.07 | K | Relay (1.0) Calculated Property |
| Tfus | 234.18 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.56; 212.79] | J/mol×K | [431.56; 630.92] |
|
| Cp,gas | 170.56 | J/mol×K | 431.56 | Joback Calculated Property |
| Cp,gas | 178.48 | J/mol×K | 464.79 | Joback Calculated Property |
| Cp,gas | 186.03 | J/mol×K | 498.01 | Joback Calculated Property |
| Cp,gas | 193.23 | J/mol×K | 531.24 | Joback Calculated Property |
| Cp,gas | 200.08 | J/mol×K | 564.47 | Joback Calculated Property |
| Cp,gas | 206.60 | J/mol×K | 597.69 | Joback Calculated Property |
| Cp,gas | 212.79 | J/mol×K | 630.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2-chlorobutenoate.
Sources
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