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

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

InChI
InChI=1S/C16H20O2/c1-3-9-15(4-2)18-16(17)13-8-12-14-10-6-5-7-11-14/h5-7,10-11,15H,4,8,12-13H2,1-2H3
InChI Key
NBCNAJHCARHGOQ-UHFFFAOYSA-N
Formula
C16H20O2
SMILES
CC#CC(CC)OC(=O)CCCc1ccccc1
Molecular Weight1
244.33
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Physical Properties

Property Value Unit Source
ΔfusH° 35.20 kJ/mol Joback Calculated Property
IE 8.62 eV Relay (1.0) Calculated Property
log10WS -3.91 Relay (1.0) Calculated Property
logPoct/wat 3.354 Crippen Calculated Property
McVol 211.380 ml/mol McGowan Calculated Property
Pc 1975.31 kPa Joback Calculated Property
Inp [1857.00; 1857.00]   Show Hide
Inp 1857.00 NIST
Inp 1857.00 NIST
Tboil 567.32 K Relay (1.0) Calculated Property
Tfus 289.03 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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 [551.64; 639.65] J/mol×K [659.14; 876.71] Show Hide
Cp,gas 551.64 J/mol×K 659.14 Joback Calculated Property
Cp,gas 569.03 J/mol×K 695.40 Joback Calculated Property
Cp,gas 585.28 J/mol×K 731.66 Joback Calculated Property
Cp,gas 600.43 J/mol×K 767.93 Joback Calculated Property
Cp,gas 614.52 J/mol×K 804.19 Joback Calculated Property
Cp,gas 627.58 J/mol×K 840.45 Joback Calculated Property
Cp,gas 639.65 J/mol×K 876.71 Joback Calculated Property

Similar Compounds

Butyric acid, 4-phenyl-, 2-methyloct-5-yn-4-yl ester. Butyric acid, 4-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 4-phenyl-, 4-methyl-2-pentyl ester. Butyric acid, 4-phenyl-, butyl ester. Butyric acid, 4-phenyl-, tridec-2-yn-1-yl ester. 3-Phenylpropionic acid, hex-4-yn-3-yl ester. Butyric acid, 4-phenyl-, pentyl ester. Butyric acid, 4-phenyl-, isobutyl ester. Butyric acid, 4-phenyl-, hexyl ester. Butyric acid, 4-phenyl-, dodecyl ester. Butyric acid, 4-phenyl-, decyl ester. Butyric acid, 4-phenyl-, octadecyl ester. Butyric acid, 4-phenyl-, octyl ester. Butyric acid, 4-phenyl-, tetradecyl ester. Butyric acid, 4-phenyl-, undecyl ester.

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

Sources

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