Chemical Properties of Glutaric acid, 2-(adamant-1-yl)ethyl hex-4-yn-3-yl ester

Glutaric acid, 2-(adamant-1-yl)ethyl hex-4-yn-3-yl ester

InChI
InChI=1S/C23H34O4/c1-3-6-20(4-2)27-22(25)8-5-7-21(24)26-10-9-23-14-17-11-18(15-23)13-19(12-17)16-23/h17-20H,4-5,7-16H2,1-2H3
InChI Key
LQUDWJLSVQGQCZ-UHFFFAOYSA-N
Formula
C23H34O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OCCC12CC3CC(CC(C3)C1)C2
Molecular Weight1
374.52
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Physical Properties

Property Value Unit Source
ΔfusH° 50.74 kJ/mol Joback Calculated Property
logPoct/wat 4.652 Crippen Calculated Property
McVol 308.630 ml/mol McGowan Calculated Property
Inp [2787.00; 2787.00]   Show Hide
Inp 2787.00 NIST
Inp 2787.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [431.98; 1116.54] 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 A-1.51224e+02
Coefficient B2.64384e+00
Coefficient C-2.04066e-03
Coefficient D6.64580e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 431.98 J/mol×K 273.00 Calculated Property
Cp,gas 558.13 J/mol×K 353.78 Calculated Property
Cp,gas 666.85 J/mol×K 434.56 Calculated Property
Cp,gas 760.25 J/mol×K 515.33 Calculated Property
Cp,gas 840.43 J/mol×K 596.11 Calculated Property
Cp,gas 909.49 J/mol×K 676.89 Calculated Property
Cp,gas 969.52 J/mol×K 757.67 Calculated Property
Cp,gas 1022.64 J/mol×K 838.44 Calculated Property
Cp,gas 1070.95 J/mol×K 919.22 Calculated Property
Cp,gas 1116.54 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, cyclohexylmethyl hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 2-ethylhexyl ester. Glutaric acid, hex-4-yn-3-yl 2,4,4-trimethylpentyl ester. Glutaric acid, hex-4-yn-3-yl 3-methyl-5-methoxypentyl ester. Hexanoic acid, 3,5,5-trimethyl-, hex-4-yn-3-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl undecyl ester. Glutaric acid, decyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, heptadecyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl nonyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentadecyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl tetradecyl ester. Glutaric acid, dodecyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, hexadecyl 2-methyloct-5-yn-4-yl ester. Glutaric acid, 2-methyloct-5-yn-4-yl tridecyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl octyl ester.

Find more compounds similar to Glutaric acid, 2-(adamant-1-yl)ethyl hex-4-yn-3-yl ester.

Sources

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