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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [323.34; 701.22] 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 A5.13950e+01
Coefficient B1.14216e+00
Coefficient C-5.50930e-04
Coefficient D5.85900e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 323.34 J/mol×K 273.00 Calculated Property
Cp,gas 389.11 J/mol×K 353.78 Calculated Property
Cp,gas 448.50 J/mol×K 434.56 Calculated Property
Cp,gas 501.70 J/mol×K 515.33 Calculated Property
Cp,gas 548.89 J/mol×K 596.11 Calculated Property
Cp,gas 590.26 J/mol×K 676.89 Calculated Property
Cp,gas 625.99 J/mol×K 757.67 Calculated Property
Cp,gas 656.27 J/mol×K 838.44 Calculated Property
Cp,gas 681.28 J/mol×K 919.22 Calculated Property
Cp,gas 701.22 J/mol×K 1000.00 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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