Chemical Properties of Glutaric acid, but-3-yn-2-yl 3-methyl-5-methoxypentyl ester

Glutaric acid, but-3-yn-2-yl 3-methyl-5-methoxypentyl ester

InChI
InChI=1S/C16H26O5/c1-5-14(3)21-16(18)8-6-7-15(17)20-12-10-13(2)9-11-19-4/h1,13-14H,6-12H2,2-4H3
InChI Key
AZRHCVDZTDIOEG-UHFFFAOYSA-N
Formula
C16H26O5
SMILES
C#CC(C)OC(=O)CCCC(=O)OCCC(C)CCOC
Molecular Weight1
298.38
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Physical Properties

Property Value Unit Source
ΔfH°gas -862.22 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 43.05 kJ/mol Joback Calculated Property
ΔvapH° 85.13 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.328 Crippen Calculated Property
McVol 248.450 ml/mol McGowan Calculated Property
Inp [1912.00; 1912.00]   Show Hide
Inp 1912.00 NIST
Inp 1912.00 NIST
Tboil 584.69 K Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [700.55; 784.13] J/mol×K [693.78; 875.95] Show Hide
Cp,gas 700.55 J/mol×K 693.78 Joback Calculated Property
Cp,gas 716.72 J/mol×K 724.14 Joback Calculated Property
Cp,gas 731.98 J/mol×K 754.50 Joback Calculated Property
Cp,gas 746.35 J/mol×K 784.87 Joback Calculated Property
Cp,gas 759.83 J/mol×K 815.23 Joback Calculated Property
Cp,gas 772.42 J/mol×K 845.59 Joback Calculated Property
Cp,gas 784.13 J/mol×K 875.95 Joback Calculated Property

Similar Compounds

Glutaric acid, but-3-yn-2-yl 3,7-dimethyloctyl ester. Glutaric acid, but-3-yl-2-yn 3-methylbutyl ester. Glutaric acid, 2-(cyclohexyl)ethyl but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl isohexyl ester. Succinic acid, but-3-yn-2-yl 3-methylpentyl ester. Glutaric acid, hex-4-yn-3-yl 3-methyl-5-methoxypentyl ester. Sebacic acid, but-3-yn-2-yl isohexyl ester. Glutaric acid, ethyl 5-methoxy-3-methylpentyl ester. Glutaric acid, di(5-methoxy-3-methylpentyl) ester. Glutaric acid, but-3-yn-2-yl 2-methylpentyl ester. Glutaric acid, butyl 5-methoxy-3-methylpentyl ester. Glutaric acid, 5-methoxy-3-methylpentyl pentyl ester. Glutaric acid, but-3-yn-2-yl 2-ethylbutyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 3-methyl-5-methoxypentyl ester. Glutaric acid, 5-methoxy-3-methylpentyl propyl ester.

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 3-methyl-5-methoxypentyl ester.

Sources

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