- InChI
- InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h1,4H2,2-3H3
- InChI Key
- ZWWQRMFIZFPUAA-UHFFFAOYSA-N
- Formula
- C7H10O4
- SMILES
- C=C(CC(=O)OC)C(=O)OC
- Molecular Weight1
- 158.15
- CAS
- 617-52-7
- Other Names
-
- Succinic acid, methylene-, dimethyl ester
- Dimethyl itaconate
- Itaconic acid, dimethyl ester
- Methylenesuccinic acid, dimethyl ester
- Dimethyl methylenesuccinate
- Butanedioic acid, 2-methylene-, dimethyl ester
- Dimethyl 2-methylenesuccinate
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ΔfG° | -380.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -561.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.90 | kJ/mol | Joback Calculated Property |
| log10WS | -0.33 | Crippen Calculated Property | |
| logPoct/wat | 0.279 | Crippen Calculated Property | |
| McVol | 120.070 | ml/mol | McGowan Calculated Property |
| Pc | 3261.58 | kPa | Joback Calculated Property |
| Inp | [1057.00; 1096.50] |
|
|
| Inp | 1061.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1065.00 | NIST | |
| Inp | 1096.50 | NIST | |
| Tboil | 481.20 | K | NIST |
| Tc | 701.54 | K | Joback Calculated Property |
| Tfus | 297.25 | K | Joback Calculated Property |
| Vc | 0.458 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.22; 313.72] | J/mol×K | [508.70; 701.54] |
|
| Cp,gas | 260.22 | J/mol×K | 508.70 | Joback Calculated Property |
| Cp,gas | 270.10 | J/mol×K | 540.84 | Joback Calculated Property |
| Cp,gas | 279.61 | J/mol×K | 572.98 | Joback Calculated Property |
| Cp,gas | 288.73 | J/mol×K | 605.12 | Joback Calculated Property |
| Cp,gas | 297.46 | J/mol×K | 637.26 | Joback Calculated Property |
| Cp,gas | 305.79 | J/mol×K | 669.40 | Joback Calculated Property |
| Cp,gas | 313.72 | J/mol×K | 701.54 | Joback Calculated Property |
| ΔvapH | 67.00 | kJ/mol | 411.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 381.20 | K | 1.50 | NIST |
Similar Compounds
Find more compounds similar to Butanedioic acid, methylene-, dimethyl ester.
Sources
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