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

Glutaric acid, but-3-yn-2-yl neopentyl ester

InChI
InChI=1S/C14H22O4/c1-6-11(2)18-13(16)9-7-8-12(15)17-10-14(3,4)5/h1,11H,7-10H2,2-5H3
InChI Key
PLRVDVXBZFJZGV-UHFFFAOYSA-N
Formula
C14H22O4
SMILES
C#CC(C)OC(=O)CCCC(=O)OCC(C)(C)C
Molecular Weight1
254.32
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Physical Properties

Property Value Unit Source
ΔfusH° 32.79 kJ/mol Joback Calculated Property
logPoct/wat 2.311 Crippen Calculated Property
McVol 214.400 ml/mol McGowan Calculated Property
Inp [1561.00; 1561.00]   Show Hide
Inp 1561.00 NIST
Inp 1561.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [322.19; 702.14] 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 A2.86040e+01
Coefficient B1.26208e+00
Coefficient C-7.19530e-04
Coefficient D1.30990e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 322.19 J/mol×K 273.00 Calculated Property
Cp,gas 390.84 J/mol×K 353.78 Calculated Property
Cp,gas 451.92 J/mol×K 434.56 Calculated Property
Cp,gas 505.84 J/mol×K 515.33 Calculated Property
Cp,gas 553.01 J/mol×K 596.11 Calculated Property
Cp,gas 593.84 J/mol×K 676.89 Calculated Property
Cp,gas 628.76 J/mol×K 757.67 Calculated Property
Cp,gas 658.17 J/mol×K 838.44 Calculated Property
Cp,gas 682.50 J/mol×K 919.22 Calculated Property
Cp,gas 702.14 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, but-3-yn-2-yl isobutyl ester. Glutaric acid, but-3-yn-2-yl propyl ester. Sebacic acid, but-3-yn-2-yl isobutyl ester. Glutaric acid, but-3-yn-2-yl butyl ester. Glutaric acid, but-3-yn-2-yl ethyl ester. Glutaric acid, but-3-yn-2-yl 2-methylbutyl ester. Glutaric acid, hex-4-yn-3-yl neopentyl ester. Glutaric acid, di(but-3-yn-2-yl) ester. Glutaric acid, but-3-yn-2-yl pentyl ester. Sebacic acid, but-3-yn-2-yl propyl ester. Glutaric acid, but-3-yn-2-yl hexyl ester. Glutaric acid, but-3-yn-2-yl heptyl ester. Glutaric acid, but-3-yn-2-yl pentadecyl ester. Glutaric acid, but-3-yn-2-yl tetradecyl ester. Glutaric acid, but-3-yn-2-yl tridecyl ester.

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

Sources

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