Chemical Properties of 3-Methyl-2-butenoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

3-Methyl-2-butenoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C15H22O2/c1-11(2)7-8-14(9-12(3)4)17-15(16)10-13(5)6/h10,12,14H,1,9H2,2-6H3
InChI Key
YIGBVEXDZVDCJX-UHFFFAOYSA-N
Formula
C15H22O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)C=C(C)C
Molecular Weight1
234.33
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Physical Properties

Property Value Unit Source
ΔfusH° 31.35 kJ/mol Joback Calculated Property
ΔvapH° 74.17 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.490 Crippen Calculated Property
McVol 212.450 ml/mol McGowan Calculated Property
Inp [1521.00; 1521.00]   Show Hide
Inp 1521.00 NIST
Inp 1521.00 NIST

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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [298.99; 681.62] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.23010e+01
Coefficient B1.23590e+00
Coefficient C-7.23160e-04
Coefficient D1.56580e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 298.99 J/mol×K 273.00 Calculated Property
Cp,gas 365.96 J/mol×K 353.78 Calculated Property
Cp,gas 425.66 J/mol×K 434.56 Calculated Property
Cp,gas 478.58 J/mol×K 515.33 Calculated Property
Cp,gas 525.23 J/mol×K 596.11 Calculated Property
Cp,gas 566.09 J/mol×K 676.89 Calculated Property
Cp,gas 601.67 J/mol×K 757.67 Calculated Property
Cp,gas 632.45 J/mol×K 838.44 Calculated Property
Cp,gas 658.94 J/mol×K 919.22 Calculated Property
Cp,gas 681.62 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Methyl-2-butenoic acid, 2-methyloct-5-yn-4-yl ester. 2-Heptenoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Trichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Methyl-2-butenoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Dichloroacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl. Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 3-Cloropropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-4-yl) ester. Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2,2-Dimethylpropanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Acetoxyacetic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Cyclobutanecarboxylic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Sebacic acid, di(2,7-dimethylocta-7-en-5-yn-4-yl) ester. Hexanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Octanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Find more compounds similar to 3-Methyl-2-butenoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

Sources

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