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

Glutaric acid, but-3-yn-2-yl 2-methylphenyl ester

InChI
InChI=1S/C16H18O4/c1-4-13(3)19-15(17)10-7-11-16(18)20-14-9-6-5-8-12(14)2/h1,5-6,8-9,13H,7,10-11H2,2-3H3
InChI Key
KYTLARJISKYBOD-UHFFFAOYSA-N
Formula
C16H18O4
SMILES
C#CC(C)OC(=O)CCCC(=O)Oc1ccccc1C
Molecular Weight1
274.31
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Physical Properties

Property Value Unit Source
ΔfusH° 39.04 kJ/mol Joback Calculated Property
IE 8.64 eV Relay (1.0) Calculated Property
logPoct/wat 2.636 Crippen Calculated Property
McVol 218.820 ml/mol McGowan Calculated Property
Inp [1934.00; 1934.00]   Show Hide
Inp 1934.00 NIST
Inp 1934.00 NIST
Tboil 596.82 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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 [589.16; 662.80] J/mol×K [703.46; 914.90] Show Hide
Cp,gas 589.16 J/mol×K 703.46 Joback Calculated Property
Cp,gas 604.07 J/mol×K 738.70 Joback Calculated Property
Cp,gas 617.89 J/mol×K 773.94 Joback Calculated Property
Cp,gas 630.65 J/mol×K 809.18 Joback Calculated Property
Cp,gas 642.38 J/mol×K 844.42 Joback Calculated Property
Cp,gas 653.09 J/mol×K 879.66 Joback Calculated Property
Cp,gas 662.80 J/mol×K 914.90 Joback Calculated Property

Similar Compounds

Glutaric acid, but-3-yn-2-yl 2-methyl-4-chlorophenyl ester. Glutaric acid, but-3-yn-2-yl 2,3-dimethylphenyl ester. Glutaric acid, but-3-yn-2-yl 3-methylphenyl ester. Glutaric acid, but-3-yn-2-yl 2-ethylphenyl ester. Glutaric acid, hex-4-yn-3-yl 2-methylphenyl ester. Glutaric acid, 1,1,1-trifluoroprop-2-yl 2-methylphenyl ester. Glutaric acid, ethyl 2-methylphenyl ester. Succinic acid, but-3-yn-2-yl 4-chloro-2-methylphenyl ester. Glutaric acid, 3-methylbut-2-yl 2-methylphenyl ester. Glutaric acid, dec-2-yl 2-methylphenyl ester. Glutaric acid, hept-2-yl 2-methylphenyl ester. Glutaric acid, 2-methylphenyl propyl ester. Succinic acid, but-3-yn-2-yl 2,3-dimethylphenyl ester. Glutaric acid, but-3-yn-2-yl 3-ethylphenyl ester. Glutaric acid, but-3-yn-2-yl 2-propylphenyl ester.

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

Sources

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