Chemical Properties of Valeric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

Valeric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI
InChI=1S/C16H26O2/c1-6-8-10-16(17)18-15(12-11-13(3)4)14(5)9-7-2/h14-15H,3,6-10H2,1-2,4-5H3
InChI Key
WMYUVMWJPOEMEK-UHFFFAOYSA-N
Formula
C16H26O2
SMILES
C=C(C)C#CC(OC(=O)CCCC)C(C)CCC
Molecular Weight1
250.38
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Physical Properties

Property Value Unit Source
ΔfH°gas -306.06 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 35.05 kJ/mol Joback Calculated Property
ΔvapH° 78.48 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.104 Crippen Calculated Property
McVol 230.840 ml/mol McGowan Calculated Property
Inp 1574.80 NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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 [334.06; 764.07] 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 A2.52650e+01
Coefficient B1.31098e+00
Coefficient C-6.91460e-04
Coefficient D1.19280e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 334.06 J/mol×K 273.00 Calculated Property
Cp,gas 407.80 J/mol×K 353.78 Calculated Property
Cp,gas 474.17 J/mol×K 434.56 Calculated Property
Cp,gas 533.55 J/mol×K 515.33 Calculated Property
Cp,gas 586.31 J/mol×K 596.11 Calculated Property
Cp,gas 632.83 J/mol×K 676.89 Calculated Property
Cp,gas 673.49 J/mol×K 757.67 Calculated Property
Cp,gas 708.67 J/mol×K 838.44 Calculated Property
Cp,gas 738.73 J/mol×K 919.22 Calculated Property
Cp,gas 764.07 J/mol×K 1000.00 Calculated Property

Similar Compounds

Hexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Octanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Butanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Succinic acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl isobutyl ester. Cylobutanecarboxylic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 3-methylbut-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. 5-Bromovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, but-3-yn-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. 5-chlorovaleric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Glutaric acid, 2-methylpent-3-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester. 6-Bromohexanoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Sebacic acid, 2,6-dimethylnon-1-en-3-yn-5-yl propyl ester.

Find more compounds similar to Valeric acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester.

Sources

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