Chemical Properties of Glutaric acid, but-3-yn-2-yl 3,7-dimethyloctyl ester

Glutaric acid, but-3-yn-2-yl 3,7-dimethyloctyl ester

InChI
InChI=1S/C19H32O4/c1-6-17(5)23-19(21)12-8-11-18(20)22-14-13-16(4)10-7-9-15(2)3/h1,15-17H,7-14H2,2-5H3
InChI Key
HGRGOSXRMFYELP-UHFFFAOYSA-N
Formula
C19H32O4
SMILES
C#CC(C)OC(=O)CCCC(=O)OCCC(C)CCCC(C)C
Molecular Weight1
324.46
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Physical Properties

Property Value Unit Source
ΔfH°gas -828.91 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.11 kJ/mol Joback Calculated Property
ΔvapH° 91.66 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.117 Crippen Calculated Property
McVol 284.850 ml/mol McGowan Calculated Property
Inp [2066.00; 2066.00]   Show Hide
Inp 2066.00 NIST
Inp 2066.00 NIST
Tboil 597.98 K Relay (1.0) Calculated Property
Tc 766.95 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [841.25; 931.94] J/mol×K [739.56; 923.03] Show Hide
Cp,gas 841.25 J/mol×K 739.56 Joback Calculated Property
Cp,gas 858.89 J/mol×K 770.14 Joback Calculated Property
Cp,gas 875.49 J/mol×K 800.72 Joback Calculated Property
Cp,gas 891.08 J/mol×K 831.29 Joback Calculated Property
Cp,gas 905.67 J/mol×K 861.87 Joback Calculated Property
Cp,gas 919.28 J/mol×K 892.45 Joback Calculated Property
Cp,gas 931.94 J/mol×K 923.03 Joback Calculated Property

Similar Compounds

Glutaric acid, 2-(cyclohexyl)ethyl but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl 3-methyl-5-methoxypentyl ester. Glutaric acid, 2-(adamant-1-yl)ethyl but-3-yn-2-yl ester. Sebacic acid, but-3-yn-2-yl isohexyl ester. Glutaric acid, but-3-yn-2-yl isohexyl ester. Glutaric acid, 2-ethylhexyl but-3-yn-2-yl ester. Glutaric acid, cyclohexylmethyl but-3-yn-2-yl ester. Succinic acid, but-3-yn-2-yl 3-methylpentyl ester. Glutaric acid, but-3-yl-2-yn 3-methylbutyl ester. Glutaric acid, di(3,7-dimethyloctyl) ester. Glutaric acid, but-3-yn-2-yl 2-methylpentyl ester. Glutaric acid, but-3-yn-2-yl octyl ester. Glutaric acid, but-3-yn-2-yl tridecyl ester. Glutaric acid, but-3-yn-2-yl dodecyl ester. Glutaric acid, but-3-yn-2-yl pentadecyl ester.

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 3,7-dimethyloctyl ester.

Sources

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