Chemical Properties of Glutaric acid, di(hex-4-yn-3-yl) ester

Glutaric acid, di(hex-4-yn-3-yl) ester

InChI
InChI=1S/C17H24O4/c1-5-10-14(7-3)20-16(18)12-9-13-17(19)21-15(8-4)11-6-2/h14-15H,7-9,12-13H2,1-4H3
InChI Key
QDYORRCHHWXTAI-UHFFFAOYSA-N
Formula
C17H24O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)OC(C#CC)CC
Molecular Weight1
292.37
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Physical Properties

Property Value Unit Source
ΔfH°gas -531.81 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 47.72 kJ/mol Joback Calculated Property
ΔvapH° 85.89 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.847 Crippen Calculated Property
McVol 248.070 ml/mol McGowan Calculated Property
Inp 2036.00 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 [364.37; 791.42] 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 A7.00050e+01
Coefficient B1.22148e+00
Coefficient C-5.33920e-04
Coefficient D3.38600e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 364.37 J/mol×K 273.00 Calculated Property
Cp,gas 436.81 J/mol×K 353.78 Calculated Property
Cp,gas 502.76 J/mol×K 434.56 Calculated Property
Cp,gas 562.32 J/mol×K 515.33 Calculated Property
Cp,gas 615.59 J/mol×K 596.11 Calculated Property
Cp,gas 662.68 J/mol×K 676.89 Calculated Property
Cp,gas 703.71 J/mol×K 757.67 Calculated Property
Cp,gas 738.77 J/mol×K 838.44 Calculated Property
Cp,gas 767.97 J/mol×K 919.22 Calculated Property
Cp,gas 791.42 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, hex-4-yn-3-yl isopropyl ester. Glutaric acid, but-3-yn-2-yl hex-4-yn-3-yl ester. Glutaric acid, ethyl hex-4-yn-3-yl ester. valeric acid, hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl propyl ester. Butanoic acid, hex-4-yn-3-yl ester. Hexanoic acid, hex-4-yn-3-yl ester. Glutaric acid, butyl hex-4-yn-3-yl ester. Sebacic acid, di(hex-4-yn-3-yl) ester. Octanoic acid, hex-4-yn-3-yl ester. Glutaric acid, hex-4-yn-3-yl 2-fluoroethyl ester. Glutaric acid, hex-4-yn-3-yl neopentyl ester. Glutaric acid, hex-4-yn-3-yl isobutyl ester. Glutaric acid, hex-4-yn-3-yl 1,1,1-trifluoroprop-2-yl ester. 4-Bromobutanoic acid, hex-4-yn-3-yl ester.

Find more compounds similar to Glutaric acid, di(hex-4-yn-3-yl) ester.

Sources

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