- InChI
- InChI=1S/C6H9ClO3/c1-4(9-2)5(7)6(8)10-3/h1-3H3/b5-4+
- InChI Key
- UCQQBIORXJIZBS-SNAWJCMRSA-N
- Formula
- C6H9ClO3
- SMILES
- COC(=O)C(Cl)=C(C)OC
- Molecular Weight1
- 164.59
- CAS
- 82481-24-1
- 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).
- 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 | 0.4351 | Relay (1.0) Calculated Property | |
| ΔfG° | -288.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.276 | Crippen Calculated Property | |
| McVol | 116.650 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| Tboil | 460.30 | K | Relay (1.0) Calculated Property |
| Tc | 649.45 | K | Relay (1.0) Calculated Property |
| Tfus | 270.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.428 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [229.15; 279.23] | J/mol×K | [476.74; 676.44] | 
|
| Cp,gas | 229.15 | J/mol×K | 476.74 | Joback Calculated Property |
| Cp,gas | 238.42 | J/mol×K | 510.02 | Joback Calculated Property |
| Cp,gas | 247.33 | J/mol×K | 543.31 | Joback Calculated Property |
| Cp,gas | 255.86 | J/mol×K | 576.59 | Joback Calculated Property |
| Cp,gas | 264.02 | J/mol×K | 609.87 | Joback Calculated Property |
| Cp,gas | 271.81 | J/mol×K | 643.15 | Joback Calculated Property |
| Cp,gas | 279.23 | J/mol×K | 676.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E) Methyl 2-chloro-3-methoxy-2-butenoate.
Sources
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