Chemical Properties of 3-Methyl-2-butenoic acid, but-3-yn-2-yl ester

3-Methyl-2-butenoic acid, but-3-yn-2-yl ester

InChI
InChI=1S/C9H12O2/c1-5-8(4)11-9(10)6-7(2)3/h1,6,8H,2-4H3
InChI Key
NDRRMESRUFTJAX-UHFFFAOYSA-N
Formula
C9H12O2
SMILES
C#CC(C)OC(=O)C=C(C)C
Molecular Weight1
152.19
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Physical Properties

Property Value Unit Source
ΔfusH° 21.78 kJ/mol Joback Calculated Property
ΔvapH° 58.77 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 1.517 Crippen Calculated Property
McVol 132.210 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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 [269.63; 334.74] J/mol×K [457.46; 656.50] Show Hide
Cp,gas 269.63 J/mol×K 457.46 Joback Calculated Property
Cp,gas 282.06 J/mol×K 490.63 Joback Calculated Property
Cp,gas 293.83 J/mol×K 523.81 Joback Calculated Property
Cp,gas 304.96 J/mol×K 556.98 Joback Calculated Property
Cp,gas 315.47 J/mol×K 590.16 Joback Calculated Property
Cp,gas 325.39 J/mol×K 623.33 Joback Calculated Property
Cp,gas 334.74 J/mol×K 656.50 Joback Calculated Property

Similar Compounds

3-METHYL,2-BUTENOIC ACID,ISOPROPYL ESTER. 2-Butenoic acid, 3-methyl-, ethyl ester. 2-Butenoic acid, 1-methylethyl ester. 2-Heptenoic acid, but-3-yn-2-yl ester. Glutaric acid, 3-methylbut-2-en-1-yl but-3-yn-2-yl ester. 3-Methyl-2-butenoic acid, 2-pentyl ester. 3-Methylbut-2-enoic acid, 3-methylbut-2-yl ester. 3-Methyl-2-butenoic acid, propyl ester. 3-Methyl-2-butenoic acid, hex-4-yn-3-yl ester. Fumaric acid, 2-pentyl but-3-yn-2-yl ester. 3-Methylbut-2-en-1-yl 3-methylbut-2-enoate. Isopropyl tiglate. Trichloroacetic acid, but-3-yn-2-yl ester. 3-Methyl-2-butenoic acid, pent-2-en-4-ynyl ester. Succinic acid, but-3-yn-2-yl cis-pent-2-en-1-yl ester.

Find more compounds similar to 3-Methyl-2-butenoic acid, but-3-yn-2-yl ester.

Sources

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