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

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

InChI
InChI=1S/C15H18O2/c1-4-9-14(5-2)17-15(16)12(3)13-10-7-6-8-11-13/h6-8,10-12,14H,5H2,1-3H3
InChI Key
UBDYWNRJPOSSMF-UHFFFAOYSA-N
Formula
C15H18O2
SMILES
CC#CC(CC)OC(=O)C(C)c1ccccc1
Molecular Weight1
230.30
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Physical Properties

Property Value Unit Source
ΔfusH° 29.09 kJ/mol Joback Calculated Property
ΔvapH° 73.62 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.135 Crippen Calculated Property
McVol 197.290 ml/mol McGowan Calculated Property
Inp 1620.00 NIST
Tboil 536.76 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, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [265.24; 622.73] 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-5.04900e+00
Coefficient B1.15716e+00
Coefficient C-6.43060e-04
Coefficient D1.13680e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 265.24 J/mol×K 273.00 Calculated Property
Cp,gas 328.88 J/mol×K 353.78 Calculated Property
Cp,gas 385.70 J/mol×K 434.56 Calculated Property
Cp,gas 436.06 J/mol×K 515.33 Calculated Property
Cp,gas 480.32 J/mol×K 596.11 Calculated Property
Cp,gas 518.84 J/mol×K 676.89 Calculated Property
Cp,gas 551.98 J/mol×K 757.67 Calculated Property
Cp,gas 580.11 J/mol×K 838.44 Calculated Property
Cp,gas 603.57 J/mol×K 919.22 Calculated Property
Cp,gas 622.73 J/mol×K 1000.00 Calculated Property

Similar Compounds

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

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

Sources

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