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

3-Phenylpropionic acid, hex-4-yn-3-yl ester

InChI
InChI=1S/C15H18O2/c1-3-8-14(4-2)17-15(16)12-11-13-9-6-5-7-10-13/h5-7,9-10,14H,4,11-12H2,1-2H3
InChI Key
RLHCYVPRHPXILZ-UHFFFAOYSA-N
Formula
C15H18O2
SMILES
CC#CC(CC)OC(=O)CCc1ccccc1
Molecular Weight1
230.30
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Physical Properties

Property Value Unit Source
ΔfusH° 32.61 kJ/mol Joback Calculated Property
IE 8.68 eV Relay (1.0) Calculated Property
log10WS -3.59 Relay (1.0) Calculated Property
logPoct/wat 2.964 Crippen Calculated Property
McVol 197.290 ml/mol McGowan Calculated Property
Pc 2155.30 kPa Joback Calculated Property
Inp [1688.00; 1688.00]   Show Hide
Inp 1688.00 NIST
Inp 1688.00 NIST
Tboil 550.32 K Relay (1.0) Calculated Property
Tfus 276.35 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [265.56; 622.19] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.36700e+00
Coefficient B1.15124e+00
Coefficient C-6.39860e-04
Coefficient D1.14180e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 265.56 J/mol×K 273.00 Calculated Property
Cp,gas 328.89 J/mol×K 353.78 Calculated Property
Cp,gas 385.45 J/mol×K 434.56 Calculated Property
Cp,gas 435.60 J/mol×K 515.33 Calculated Property
Cp,gas 479.71 J/mol×K 596.11 Calculated Property
Cp,gas 518.14 J/mol×K 676.89 Calculated Property
Cp,gas 551.23 J/mol×K 757.67 Calculated Property
Cp,gas 579.37 J/mol×K 838.44 Calculated Property
Cp,gas 602.90 J/mol×K 919.22 Calculated Property
Cp,gas 622.19 J/mol×K 1000.00 Calculated Property

Similar Compounds

3-Phenylpropionic acid, 2-methyloct-5-yn-4-yl ester. 3-Phenylpropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Butyric acid, 4-phenyl-, hex-4-yn-3-yl ester. 3-Phenylpropionic acid, 3-methylbut-2-yl ester. 3-Phenylpropionic acid, but-3-yn-2-yl ester. 3-Phenylpropionic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester. Butyric acid, 4-phenyl-, 2-methyloct-5-yn-4-yl ester. 3-Phenylpropionic acid, tridec-2-ynyl ester. 3-Phenylpropionic acid, 2-methylbutyl ester. 3-Phenylpropionic acid, 2-methylpentyl ester. Benzenepropanoic acid, pentyl ester. 3-Phenylpropionic acid, 4-methoxy-2-methylbutyl ester. Benzenepropanoic acid, hexyl ester. Hydratropic acid, hex-4-yn-3-yl ester. Succinic acid, tridec-2-yn-1-yl 3-phenylpropyl ester.

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

Sources

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