Chemical Properties of 3-Methyl-2-butenoic acid, 2-methyloct-5-yn-4-yl ester

3-Methyl-2-butenoic acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C14H22O2/c1-6-7-8-13(9-11(2)3)16-14(15)10-12(4)5/h10-11,13H,6,9H2,1-5H3
InChI Key
IXSBHDLRHLWLPL-UHFFFAOYSA-N
Formula
C14H22O2
SMILES
CCC#CC(CC(C)C)OC(=O)C=C(C)C
Molecular Weight1
222.32
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Physical Properties

Property Value Unit Source
ΔfusH° 31.35 kJ/mol Joback Calculated Property
ΔvapH° 71.39 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.324 Crippen Calculated Property
McVol 202.660 ml/mol McGowan Calculated Property
Inp [1472.00; 1472.00]   Show Hide
Inp 1472.00 NIST
Inp 1472.00 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 [287.43; 658.81] 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 A1.58920e+01
Coefficient B1.16100e+00
Coefficient C-6.43560e-04
Coefficient D1.25480e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 287.43 J/mol×K 273.00 Calculated Property
Cp,gas 351.64 J/mol×K 353.78 Calculated Property
Cp,gas 409.18 J/mol×K 434.56 Calculated Property
Cp,gas 460.46 J/mol×K 515.33 Calculated Property
Cp,gas 505.87 J/mol×K 596.11 Calculated Property
Cp,gas 545.81 J/mol×K 676.89 Calculated Property
Cp,gas 580.68 J/mol×K 757.67 Calculated Property
Cp,gas 610.87 J/mol×K 838.44 Calculated Property
Cp,gas 636.78 J/mol×K 919.22 Calculated Property
Cp,gas 658.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Methyl-2-butenoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 2-Heptenoic acid, 2-methyloct-5-yn-4-yl ester. 2-Heptenoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butanoic acid, 2-methyloct-5-yn-4-yl ester. Trichloroacetic acid, 2-methyloct-5-yn-4-yl ester. Dichloroacetic acid, 2-methyloct-5-yn-4-yl ester. Glutaric acid, di(2-methyloct-5-yn-4-yl) ester. Succinic acid, di(2-methyloct-5-yn-4-yl) ester. valeric acid, 2-methyloct-5-yn-4-yl ester. 3-Methyl-2-butenoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. 3-Chloropropionic acid, 2-methyloct-5-yn-4-yl ester. Acetoxyacetic acid, 2-methyloct-5-yn-4-yl ester. 2,2-Dimethylpropanoic acid, 2-methyloct-5-yn-4-yl ester. Succinic acid, hex-4-yn-3-yl 2-methyloct-5-yn-4-yl ester. Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester.

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

Sources

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