- InChI
- InChI=1S/C7H12O4/c1-5(9-2)6(10-3)7(8)11-4/h1-4H3/b6-5-
- InChI Key
- WBGVTICYNBRHRL-WAYWQWQTSA-N
- Formula
- C7H12O4
- SMILES
- COC(=O)C(OC)=C(C)OC
- Molecular Weight1
- 160.17
- CAS
- 82481-26-3
- 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 | 0.5517 | Relay (1.0) Calculated Property | |
| ΔfG° | -372.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -669.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.684 | Crippen Calculated Property | |
| McVol | 124.370 | ml/mol | McGowan Calculated Property |
| Pc | 3032.27 | kPa | Joback Calculated Property |
| Tboil | 482.61 | K | Relay (1.0) Calculated Property |
| Tc | 650.28 | K | Relay (1.0) Calculated Property |
| Tfus | 272.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.466 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.38; 326.60] | J/mol×K | [484.61; 674.92] | 
|
| Cp,gas | 267.38 | J/mol×K | 484.61 | Joback Calculated Property |
| Cp,gas | 278.14 | J/mol×K | 516.33 | Joback Calculated Property |
| Cp,gas | 288.56 | J/mol×K | 548.05 | Joback Calculated Property |
| Cp,gas | 298.63 | J/mol×K | 579.77 | Joback Calculated Property |
| Cp,gas | 308.33 | J/mol×K | 611.49 | Joback Calculated Property |
| Cp,gas | 317.66 | J/mol×K | 643.20 | Joback Calculated Property |
| Cp,gas | 326.60 | J/mol×K | 674.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z) Methyl 2,3-dimethoxy-2-butenoate.
Sources
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