Chemical Properties of Glutaric acid, hex-4-yn-3-yl 2-methylphenyl ester

Glutaric acid, hex-4-yn-3-yl 2-methylphenyl ester

InChI
InChI=1S/C18H22O4/c1-4-9-15(5-2)21-17(19)12-8-13-18(20)22-16-11-7-6-10-14(16)3/h6-7,10-11,15H,5,8,12-13H2,1-3H3
InChI Key
LNEFFUXOFCMHSO-UHFFFAOYSA-N
Formula
C18H22O4
SMILES
CC#CC(CC)OC(=O)CCCC(=O)Oc1ccccc1C
Molecular Weight1
302.37
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Physical Properties

Property Value Unit Source
ΔfusH° 44.36 kJ/mol Joback Calculated Property
IE 8.34 eV Relay (1.0) Calculated Property
logPoct/wat 3.416 Crippen Calculated Property
McVol 247.000 ml/mol McGowan Calculated Property
Inp [2187.00; 2187.00]   Show Hide
Inp 2187.00 NIST
Inp 2187.00 NIST
Tboil 609.45 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 [701.35; 777.58] J/mol×K [768.10; 982.24] Show Hide
Cp,gas 701.35 J/mol×K 768.10 Joback Calculated Property
Cp,gas 717.04 J/mol×K 803.79 Joback Calculated Property
Cp,gas 731.51 J/mol×K 839.48 Joback Calculated Property
Cp,gas 744.78 J/mol×K 875.17 Joback Calculated Property
Cp,gas 756.87 J/mol×K 910.86 Joback Calculated Property
Cp,gas 767.80 J/mol×K 946.55 Joback Calculated Property
Cp,gas 777.58 J/mol×K 982.24 Joback Calculated Property

Similar Compounds

Glutaric acid, hex-4-yn-3-yl 2-methyl-4-chlorophenyl ester. Glutaric acid, hex-4-yn-3-yl 3-methylphenyl ester. Glutaric acid, hex-4-yn-3-yl 2,3-dimethylphenyl ester. Glutaric acid, hex-4-yn-3-yl 2-ethylphenyl ester. Succinic acid, hex-4-yn-3-yl 4-chloro-2-methylphenyl ester. Succinic acid, hex-4-yn-3-yl 2,3-dimethylphenyl ester. Glutaric acid, but-3-yn-2-yl 2-methylphenyl ester. Glutaric acid, hex-4-yn-3-yl 2-propylphenyl ester. Glutaric acid, hex-4-yn-3-yl 3-ethylphenyl ester. Glutaric acid, hex-4-yn-3-yl 2-isopropylphenyl ester. Glutaric acid, 3-methylbut-2-yl 2-methylphenyl ester. Glutaric acid, hex-4-yn-3-yl 2-chloro-5-methylphenyl ester. Glutaric acid, hex-4-yn-3-yl 5-methyl-2-methoxybenzyl ester. Glutaric acid, 2-methylpent-3-yl 2-methylphenyl ester. Glutaric acid, hept-2-yl 2-methylphenyl ester.

Find more compounds similar to Glutaric acid, hex-4-yn-3-yl 2-methylphenyl ester.

Sources

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