- InChI
- InChI=1S/C8H12O4/c1-6(8(10)12-3)4-5-7(9)11-2/h4H,5H2,1-3H3/b6-4+
- InChI Key
- NMQOICPWQBMMFF-GQCTYLIASA-N
- Formula
- C8H12O4
- SMILES
- COC(=O)CC=C(C)C(=O)OC
- Molecular Weight1
- 172.18
- CAS
- 72718-96-8
- Other Names
-
- 2-Methyl-pent-2-enedioic acid dimethyl ester
- Dimethyl 2-methyl-2-pentenedioate
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.5137 | Relay (1.0) Calculated Property | |
| ΔfG° | -379.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.58 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.669 | Crippen Calculated Property | |
| McVol | 134.160 | ml/mol | McGowan Calculated Property |
| Pc | 2963.34 | kPa | Joback Calculated Property |
| Inp | [1163.00; 1163.00] |
|
|
| Inp | 1163.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Inp | 1163.00 | NIST | |
| Tboil | 486.16 | K | Relay (1.0) Calculated Property |
| Tc | 664.59 | K | Relay (1.0) Calculated Property |
| Tfus | 266.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.492 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.31; 362.77] | J/mol×K | [539.06; 734.03] |
|
| Cp,gas | 303.31 | J/mol×K | 539.06 | Joback Calculated Property |
| Cp,gas | 314.42 | J/mol×K | 571.56 | Joback Calculated Property |
| Cp,gas | 325.05 | J/mol×K | 604.05 | Joback Calculated Property |
| Cp,gas | 335.20 | J/mol×K | 636.55 | Joback Calculated Property |
| Cp,gas | 344.87 | J/mol×K | 669.04 | Joback Calculated Property |
| Cp,gas | 354.06 | J/mol×K | 701.54 | Joback Calculated Property |
| Cp,gas | 362.77 | J/mol×K | 734.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentenedioic acid, 2-methyl-, dimethyl ester.
Sources
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