- InChI
- InChI=1S/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h4H,1-3H3/b5-4-
- InChI Key
- WQEXBUQDXKPVHR-PLNGDYQASA-N
- Formula
- C7H10O4
- SMILES
- COC(=O)C=C(C)C(=O)OC
- Molecular Weight1
- 158.15
- CAS
- 617-54-9
- Other Names
-
- Citraconic acid, dimethyl ester
- Dimethyl citraconate
- Dimethyl methyl maleate
- Methylmaleic acid, dimethyl ester
- 2-Butenedioic acid, 2-methyl-, dimethyl ester (Z)-
- Maleic acid, methyl-, dimethyl ester
- 2-Methyl-but-2-enedioic acid dimethyl ester, Z
- 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° | -388.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -569.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.53 | 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 | 3299.15 | kPa | Joback Calculated Property |
| Inp | [1045.00; 1059.00] |
|
|
| Inp | 1058.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Inp | 1059.00 | NIST | |
| Inp | Outlier 1045.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Tboil | 483.70 | K | NIST |
| Tc | 713.77 | K | Joback Calculated Property |
| Tfus | 293.93 | K | Joback Calculated Property |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.92; 313.89] | J/mol×K | [516.18; 713.77] |
|
| Cp,gas | 259.92 | J/mol×K | 516.18 | Joback Calculated Property |
| Cp,gas | 269.97 | J/mol×K | 549.11 | Joback Calculated Property |
| Cp,gas | 279.60 | J/mol×K | 582.04 | Joback Calculated Property |
| Cp,gas | 288.81 | J/mol×K | 614.98 | Joback Calculated Property |
| Cp,gas | 297.60 | J/mol×K | 647.91 | Joback Calculated Property |
| Cp,gas | 305.95 | J/mol×K | 680.84 | Joback Calculated Property |
| Cp,gas | 313.89 | J/mol×K | 713.77 | Joback Calculated Property |
| ΔvapH | 55.80 | kJ/mol | 404.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 366.00 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to cis-2-Methyl-2-butenedioic acid, dimethyl ester.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.