Chemical Properties of Fumaric acid, naphth-2-yl hex-4-yn-3-yl ester

Fumaric acid, naphth-2-yl hex-4-yn-3-yl ester

InChI
InChI=1S/C20H18O4/c1-3-7-17(4-2)23-19(21)12-13-20(22)24-18-11-10-15-8-5-6-9-16(15)14-18/h5-6,8-14,17H,4H2,1-2H3/b13-12+
InChI Key
WBIUAUCAJRWOEU-OUKQBFOZSA-N
Formula
C20H18O4
SMILES
CC#CC(CC)OC(=O)C=CC(=O)Oc1ccc2ccccc2c1
Molecular Weight1
322.35
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Physical Properties

Property Value Unit Source
ΔfusH° 46.77 kJ/mol Joback Calculated Property
logPoct/wat 3.646 Crippen Calculated Property
McVol 251.420 ml/mol McGowan Calculated Property
Inp [2644.00; 2644.00]   Show Hide
Inp 2644.00 NIST
Inp 2644.00 NIST
Tboil 663.19 K Relay (1.0) Calculated Property
Tfus 362.25 K Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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 [714.35; 780.44] J/mol×K [837.00; 1073.53] Show Hide
Cp,gas 714.35 J/mol×K 837.00 Joback Calculated Property
Cp,gas 728.14 J/mol×K 876.42 Joback Calculated Property
Cp,gas 740.71 J/mol×K 915.84 Joback Calculated Property
Cp,gas 752.15 J/mol×K 955.26 Joback Calculated Property
Cp,gas 762.53 J/mol×K 994.68 Joback Calculated Property
Cp,gas 771.93 J/mol×K 1034.11 Joback Calculated Property
Cp,gas 780.44 J/mol×K 1073.53 Joback Calculated Property

Similar Compounds

Fumaric acid, naphth-1-yl hex-4-yn-3-yl ester. Fumaric acid, 4-bromophenyl hex-4-yn-3-yl ester. Fumaric acid, 2,4-dichlorophenyl hex-4-yn-3-yl ester. Fumaric acid, 2,5-dichlorophenyl hex-4-yn-3-yl ester. Fumaric acid, 2,6-dimethoxyphenyl hex-4-yn-3-yl ester. Fumaric acid, naphth-2-yl 3-methylbut-2-yl ester. Fumaric acid, naphth-2-yl 2-methylpent-3-yl ester. Fumaric acid, naphth-2-yl hept-2-yl ester. Fumaric acid, naphth-2-yl dec-2-yl ester. Fumaric acid, naphth-1-yl 3-methylbut-2-yl ester. Fumaric acid, 2,4,6-trichlorophenyl hex-4-yn-3-yl ester. Fumaric acid, naphth-1-yl 2-methylpent-3-yl ester. Fumaric acid, naphth-1-yl dec-2-yl ester. Fumaric acid, naphth-1-yl hept-2-yl ester. Succinic acid, hex-4-yn-3-yl 2-naphthyl ester.

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

Sources

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