Chemical Properties of 2-Pentenedioic acid, 2-methyl-, dimethyl ester (CAS 72718-96-8)

2-Pentenedioic acid, 2-methyl-, dimethyl ester

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
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Physical Properties

Property Value Unit Source
ΔfH°gas -711.52 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 24.11 kJ/mol Joback Calculated Property
ΔvapH° 66.73 kJ/mol Relay (1.0) Calculated Property
IE 9.58 eV Relay (1.0) Calculated Property
logPoct/wat 0.669 Crippen Calculated Property
McVol 134.160 ml/mol McGowan Calculated Property
Pc 2715.50 kPa Joback Calculated Property
Tboil 486.16 K Relay (1.0) Calculated Property
Tfus 258.62 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [296.12; 357.88] J/mol×K [503.12; 692.52] Show Hide
Cp,gas 296.12 J/mol×K 503.12 Joback Calculated Property
Cp,gas 307.79 J/mol×K 534.69 Joback Calculated Property
Cp,gas 318.90 J/mol×K 566.25 Joback Calculated Property
Cp,gas 329.46 J/mol×K 597.82 Joback Calculated Property
Cp,gas 339.48 J/mol×K 629.39 Joback Calculated Property
Cp,gas 348.95 J/mol×K 660.95 Joback Calculated Property
Cp,gas 357.88 J/mol×K 692.52 Joback Calculated Property

Similar Compounds

2-Methoxycarbonyl-pent-2-enedioic acid dimethyl ester. ethyl 2-methyl-2(Z)-pentenoate. ethyl 2-methyl-2(E)-pentenoate. Trimethyl (1z)-1-propene-1,2,3-tricarboxylate. 1-Propene-1,2,3-tricarboxylic acid, trimethyl ester. Methylaconitic acid, trimethyl ester. 2-Pentenedioic acid, dimethyl ester. 3-Pentenoic acid, 4-methyl-, methyl ester. Dimethyl isopropylidene succinate. (Z,Z)-3-hexenyl 2-methyl-2-butenoate. (E)-Hex-3-enyl (E)-2-methylbut-2-enoate. cis-3-hexenyl tiglate. 1,2,3-Propenetricarboxylic acid, triethyl ester. Triethyl (1z)-1-propene-1,2,3-tricarboxylate. 2-Butenoic acid, 2-methyl-, methyl ester.

Find more compounds similar to 2-Pentenedioic acid, 2-methyl-, dimethyl ester.

Sources

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