Chemical Properties of Succinic acid, but-3-yn-2-yl 2-methylpentyl ester

Succinic acid, but-3-yn-2-yl 2-methylpentyl ester

InChI
InChI=1S/C14H22O4/c1-5-7-11(3)10-17-13(15)8-9-14(16)18-12(4)6-2/h2,11-12H,5,7-10H2,1,3-4H3
InChI Key
HRQDMAGRPUUGGK-UHFFFAOYSA-N
Formula
C14H22O4
SMILES
C#CC(C)OC(=O)CCC(=O)OCC(C)CCC
Molecular Weight1
254.33
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Physical Properties

Property Value Unit Source
ΔfH°gas -708.11 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.68 kJ/mol Joback Calculated Property
ΔvapH° 76.92 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.311 Crippen Calculated Property
McVol 214.400 ml/mol McGowan Calculated Property
Pc 1753.60 kPa Joback Calculated Property
Inp [1630.00; 1630.00]   Show Hide
Inp 1630.00 NIST
Inp 1630.00 NIST
Tboil 538.23 K Relay (1.0) Calculated Property
Tc 713.45 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [564.66; 646.40] J/mol×K [625.60; 810.51] Show Hide
Cp,gas 564.66 J/mol×K 625.60 Joback Calculated Property
Cp,gas 580.31 J/mol×K 656.42 Joback Calculated Property
Cp,gas 595.14 J/mol×K 687.24 Joback Calculated Property
Cp,gas 609.16 J/mol×K 718.05 Joback Calculated Property
Cp,gas 622.37 J/mol×K 748.87 Joback Calculated Property
Cp,gas 634.78 J/mol×K 779.69 Joback Calculated Property
Cp,gas 646.40 J/mol×K 810.51 Joback Calculated Property

Similar Compounds

Glutaric acid, but-3-yn-2-yl 2-methylpentyl ester. Succinic acid, but-3-yn-2-yl 2-ethylbutyl ester. Succinic acid, but-3-yn-2-yl 2-methylbutyl ester. Glutaric acid, 2-ethylhexyl but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl 2,4,4-trimethylpentyl ester. Glutaric acid, cyclohexylmethyl but-3-yn-2-yl ester. Glutaric acid, but-3-yn-2-yl 2-ethylbutyl ester. Glutaric acid, but-3-yn-2-yl 2-methylbutyl ester. Succinic acid, 3-methylbut-2-yl 2-methylpentyl ester. Succinic acid, but-3-yn-2-yl 3-methylpentyl ester. Succinic acid, 1,1,1-trifluoroprop-2-yl 2-methylpentyl ester. Succinic acid, dec-2-yl 2-methylpentyl ester. Succinic acid, hept-2-yl 2-methylpentyl ester. Succinic acid, but-3-yn-2-yl 1-cyclopentylethyl ester. Sebacic acid, but-3-yn-2-yl isohexyl ester.

Find more compounds similar to Succinic acid, but-3-yn-2-yl 2-methylpentyl ester.

Sources

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