Chemical Properties of Glutaric acid, but-3-yn-2-yl 2,4,4-trimethylpentyl ester

Glutaric acid, but-3-yn-2-yl 2,4,4-trimethylpentyl ester

InChI
InChI=1S/C17H28O4/c1-7-14(3)21-16(19)10-8-9-15(18)20-12-13(2)11-17(4,5)6/h1,13-14H,8-12H2,2-6H3
InChI Key
OTXFIJQIHMEIMO-UHFFFAOYSA-N
Formula
C17H28O4
SMILES
C#CC(C)OC(=O)CCCC(=O)OCC(C)CC(C)(C)C
Molecular Weight1
296.40
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Physical Properties

Property Value Unit Source
ΔfusH° 37.04 kJ/mol Joback Calculated Property
logPoct/wat 3.337 Crippen Calculated Property
McVol 256.670 ml/mol McGowan Calculated Property
Inp [1807.00; 1807.00]   Show Hide
Inp 1807.00 NIST
Inp 1807.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [385.52; 857.45] 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 A2.41950e+01
Coefficient B1.55300e+00
Coefficient C-8.85930e-04
Coefficient D1.66190e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 385.52 J/mol×K 273.00 Calculated Property
Cp,gas 470.09 J/mol×K 353.78 Calculated Property
Cp,gas 545.40 J/mol×K 434.56 Calculated Property
Cp,gas 611.98 J/mol×K 515.33 Calculated Property
Cp,gas 670.35 J/mol×K 596.11 Calculated Property
Cp,gas 721.03 J/mol×K 676.89 Calculated Property
Cp,gas 764.56 J/mol×K 757.67 Calculated Property
Cp,gas 801.46 J/mol×K 838.44 Calculated Property
Cp,gas 832.25 J/mol×K 919.22 Calculated Property
Cp,gas 857.45 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, but-3-yn-2-yl 2-methylpentyl ester. Glutaric acid, 2-ethylhexyl but-3-yn-2-yl ester. Glutaric acid, cyclohexylmethyl but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl 2-ethylbutyl ester. Succinic acid, but-3-yn-2-yl 2-methylpentyl ester. Glutaric acid, hex-4-yn-3-yl 2,4,4-trimethylpentyl ester. Glutaric acid, but-3-yn-2-yl 2-methylbutyl ester. Glutaric acid, but-3-yn-2-yl isohexyl ester. Glutaric acid, 3-methylbut-2-yl 2,4,4-trimethylpentyl ester. Glutaric acid, ethyl 2,4,4-trimethylpentyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2,4,4-trimethylpentyl ester. Glutaric acid, hept-2-yl 2,4,4-trimethylpentyl ester. Glutaric acid, isobutyl 2,4,4-trimethylpentyl ester. Glutaric acid, di(2,4,4-trimethylpentyl) ester. Glutaric acid, dec-2-yl 2,4,4-trimethylpentyl ester.

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 2,4,4-trimethylpentyl ester.

Sources

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