- InChI
- InChI=1S/C6H8O4/c1-4(6(8)9)3-5(7)10-2/h1,3H2,2H3,(H,8,9)
- InChI Key
- OIYTYGOUZOARSH-UHFFFAOYSA-N
- Formula
- C6H8O4
- SMILES
- C=C(CC(=O)OC)C(=O)O
- Molecular Weight1
- 144.13
- CAS
- 7338-27-4
- Other Names
-
- Butanedioic acid, methylene-, 4-methyl ester
- 4-methyl hydrogen 2-methylenesuccinate
- 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 | 0.6887 | Relay (... Calculated Property | |
| ΔfG° | -420.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -670.47 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.14 | kJ/mol | Relay (... Calculated Property |
| IE | 10.05 | eV | Relay (... Calculated Property |
| log10WS | -0.43 | Relay (... Calculated Property | |
| logPoct/wat | 0.190 | Crippen Calculated Property | |
| McVol | 105.980 | ml/mol | McGowan Calculated Property |
| Pc | 4183.90 | kPa | Joback Calculated Property |
| Tboil | 502.52 | K | Relay (... Calculated Property |
| Tc | 692.67 | K | Relay (... Calculated Property |
| Tfus | 354.12 | K | Relay (... Calculated Property |
| Vc | 0.381 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [238.60; 278.94] | J/mol×K | [555.58; 741.35] | 
|
| Cp,gas | 238.60 | J/mol×K | 555.58 | Joback Calculated Property |
| Cp,gas | 246.18 | J/mol×K | 586.54 | Joback Calculated Property |
| Cp,gas | 253.42 | J/mol×K | 617.50 | Joback Calculated Property |
| Cp,gas | 260.31 | J/mol×K | 648.47 | Joback Calculated Property |
| Cp,gas | 266.86 | J/mol×K | 679.43 | Joback Calculated Property |
| Cp,gas | 273.07 | J/mol×K | 710.39 | Joback Calculated Property |
| Cp,gas | 278.94 | J/mol×K | 741.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl itaconate.
Sources
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