Chemical Properties of Butyric acid, 2-phenyl-, hex-4-yn-3-yl ester

Butyric acid, 2-phenyl-, hex-4-yn-3-yl ester

InChI
InChI=1S/C16H20O2/c1-4-10-14(5-2)18-16(17)15(6-3)13-11-8-7-9-12-13/h7-9,11-12,14-15H,5-6H2,1-3H3
InChI Key
MVHOLHOUPNQQIJ-UHFFFAOYSA-N
Formula
C16H20O2
SMILES
CC#CC(CC)OC(=O)C(CC)c1ccccc1
Molecular Weight1
244.33
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Physical Properties

Property Value Unit Source
ΔfusH° 31.68 kJ/mol Joback Calculated Property
logPoct/wat 3.525 Crippen Calculated Property
McVol 211.380 ml/mol McGowan Calculated Property
Inp [1687.00; 1687.00]   Show Hide
Inp 1687.00 NIST
Inp 1687.00 NIST
Tboil 549.66 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, 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 [552.11; 641.58] J/mol×K [658.70; 880.55] Show Hide
Cp,gas 552.11 J/mol×K 658.70 Joback Calculated Property
Cp,gas 569.87 J/mol×K 695.67 Joback Calculated Property
Cp,gas 586.44 J/mol×K 732.65 Joback Calculated Property
Cp,gas 601.86 J/mol×K 769.62 Joback Calculated Property
Cp,gas 616.17 J/mol×K 806.60 Joback Calculated Property
Cp,gas 629.39 J/mol×K 843.57 Joback Calculated Property
Cp,gas 641.58 J/mol×K 880.55 Joback Calculated Property

Similar Compounds

Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester. Butyric acid, 2-phenyl-, but-3-yn-2-yl ester. Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 2-phenyl-, 3-methylbut-2-yl ester. Butyric acid, 2-phenyl-, pent-2-yl ester. Butyric acid, 2-phenyl-, 2-methylpent-3-yl ester. Hydratropic acid, hex-4-yn-3-yl ester. Butyric acid, 2-phenyl-, hept-2-yl ester. Butyric acid, 2-phenyl-, dec-2-yl ester. Butyric acid, 2-phenyl-, 4-methyl-2-pentyl ester. Butyric acid, 2-phenyl-, 1,1,1-trifluoroprop-2-yl ester. Butyric acid, 2-phenyl-, isopropyl ester. Butyric acid, 2-phenyl-, butyl ester. Butyric acid, 2-phenyl-, isobutyl ester. Butyric acid, 2-phenyl-, tridec-2-yn-1-yl ester.

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

Sources

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