Chemical Properties of Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

Butanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester

InChI
InChI=1S/C14H22O2/c1-6-7-14(15)16-13(10-12(4)5)9-8-11(2)3/h12-13H,2,6-7,10H2,1,3-5H3
InChI Key
LEJKEOGIMLHRRZ-UHFFFAOYSA-N
Formula
C14H22O2
SMILES
C=C(C)C#CC(CC(C)C)OC(=O)CCC
Molecular Weight1
222.33
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Physical Properties

Property Value Unit Source
ΔfH°gas -274.90 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.87 kJ/mol Joback Calculated Property
ΔvapH° 71.97 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.324 Crippen Calculated Property
McVol 202.660 ml/mol McGowan Calculated Property
Inp [1388.00; 1388.00]   Show Hide
Inp 1388.00 NIST
Inp 1388.00 NIST
Tboil 483.58 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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 [291.63; 660.88] 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 A2.70830e+01
Coefficient B1.12098e+00
Coefficient C-5.82660e-04
Coefficient D9.54800e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 291.63 J/mol×K 273.00 Calculated Property
Cp,gas 354.96 J/mol×K 353.78 Calculated Property
Cp,gas 412.02 J/mol×K 434.56 Calculated Property
Cp,gas 463.09 J/mol×K 515.33 Calculated Property
Cp,gas 508.49 J/mol×K 596.11 Calculated Property
Cp,gas 548.51 J/mol×K 676.89 Calculated Property
Cp,gas 583.46 J/mol×K 757.67 Calculated Property
Cp,gas 613.64 J/mol×K 838.44 Calculated Property
Cp,gas 639.34 J/mol×K 919.22 Calculated Property
Cp,gas 660.88 J/mol×K 1000.00 Calculated Property

Similar Compounds

Valeric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, di(2,7-dimethyloct-5-yn-7-en-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. Sebacic acid, di(2,7-dimethylocta-7-en-5-yn-4-yl) ester. 4-Bromobutanoic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl propyl ester. Undec-10-ynoic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Glutaric acid, butyl 2,7-dimethyloct-5-yn-7-en-4-yl ester. 5-Bromovaleric acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. 5-chlorovaleric acid, 2,7-dimethylocty-7-en-5-yn-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl pentyl ester. 3-Cloropropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Cyclopropanecarboxylic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isobutyl ester.

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

Sources

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