Chemical Properties of Succinic acid, 3-hex-4-ynyl 3-methylbutyl ester

Succinic acid, 3-hex-4-ynyl 3-methylbutyl ester

InChI
InChI=1S/C15H24O4/c1-5-7-13(6-2)19-15(17)9-8-14(16)18-11-10-12(3)4/h12-13H,6,8-11H2,1-4H3
InChI Key
YBCVHEPURCLKHL-UHFFFAOYSA-N
Formula
C15H24O4
SMILES
CC#CC(CC)OC(=O)CCC(=O)OCCC(C)C
Molecular Weight1
268.35
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Physical Properties

Property Value Unit Source
ΔfH°gas -701.82 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 39.42 kJ/mol Joback Calculated Property
ΔvapH° 79.53 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.701 Crippen Calculated Property
McVol 228.490 ml/mol McGowan Calculated Property
Inp [1763.00; 1763.00]   Show Hide
Inp 1763.00 NIST
Inp 1763.00 NIST
Tboil 546.77 K Relay (1.0) Calculated Property
Tc 734.12 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 [621.47; 706.82] J/mol×K [667.36; 858.49] Show Hide
Cp,gas 621.47 J/mol×K 667.36 Joback Calculated Property
Cp,gas 637.97 J/mol×K 699.22 Joback Calculated Property
Cp,gas 653.55 J/mol×K 731.07 Joback Calculated Property
Cp,gas 668.22 J/mol×K 762.93 Joback Calculated Property
Cp,gas 681.99 J/mol×K 794.78 Joback Calculated Property
Cp,gas 694.85 J/mol×K 826.64 Joback Calculated Property
Cp,gas 706.82 J/mol×K 858.49 Joback Calculated Property

Similar Compounds

Glutaric acid, hex-4-yn-3-yl 3-methylbutyl ester. Succinic acid, hex-4-yn-3-yl 2-methyloct-5-yn-4-yl ester. Glutaric acid, hex-4-yn-3-yl 3-methyl-5-methoxypentyl ester. Succinic acid, hex-4-yn-3-yl heptadecyl ester. Glutaric acid, hex-4-yn-3-yl 2-methylbutyl ester. Glutaric acid, butyl hex-4-yn-3-yl ester. Succinic acid, hex-4-yn-3-yl dodec-9-yn-1-yl ester. Glutaric acid, butyl 2-methyloct-5-yn-4-yl ester. Succinic acid, di(2-methyloct-5-yn-4-yl) ester. Glutaric acid, 2-methyloct-5-yn-4-yl propyl ester. Glutaric acid, hex-4-yn-3-yl pentyl ester. Glutaric acid, 2-methyloct-5-yn-4-yl pentyl ester. Sebacic acid, butyl hex-4-yn-3-yl ester. Sebacic acid, hex-4-yn-3-yl octyl ester. Sebacic acid, hex-4-yn-3-yl pentadecyl ester.

Find more compounds similar to Succinic acid, 3-hex-4-ynyl 3-methylbutyl ester.

Sources

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