Chemical Properties of Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester

Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C19H26O2/c1-5-7-13-17(14-15(3)4)21-19(20)18(6-2)16-11-9-8-10-12-16/h8-12,15,17-18H,5-6,14H2,1-4H3
InChI Key
LOJIOLGLNIGEJX-UHFFFAOYSA-N
Formula
C19H26O2
SMILES
CCC#CC(CC(C)C)OC(=O)C(CC)c1ccccc1
Molecular Weight1
286.41
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Physical Properties

Property Value Unit Source
ΔfusH° 35.93 kJ/mol Joback Calculated Property
logPoct/wat 4.552 Crippen Calculated Property
McVol 253.650 ml/mol McGowan Calculated Property
Inp 1853.00 NIST
Tboil 569.93 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [349.78; 829.63] 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-1.03670e+01
Coefficient B1.54308e+00
Coefficient C-8.63860e-04
Coefficient D1.60780e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 349.78 J/mol×K 273.00 Calculated Property
Cp,gas 434.54 J/mol×K 353.78 Calculated Property
Cp,gas 510.25 J/mol×K 434.56 Calculated Property
Cp,gas 577.42 J/mol×K 515.33 Calculated Property
Cp,gas 636.57 J/mol×K 596.11 Calculated Property
Cp,gas 688.19 J/mol×K 676.89 Calculated Property
Cp,gas 732.80 J/mol×K 757.67 Calculated Property
Cp,gas 770.90 J/mol×K 838.44 Calculated Property
Cp,gas 803.01 J/mol×K 919.22 Calculated Property
Cp,gas 829.63 J/mol×K 1000.00 Calculated Property

Similar Compounds

Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 2-phenyl-, 4-methyl-2-pentyl ester. Hydratropic acid, 2-methyloct-5-yn-4-yl ester. Butyric acid, 2-phenyl-, hex-4-yn-3-yl ester. Butyric acid, 2-phenyl-, 2-methylpent-3-yl ester. Butyric acid, 2-phenyl-, pent-2-yl ester. Butyric acid, 2-phenyl-, 2-ethylhexyl ester. Butyric acid, 2-phenyl-, hept-2-yl ester. Butyric acid, 2-phenyl-, dec-2-yl ester. Butyric acid, 2-phenyl-, cyclohexylmethyl ester. Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Butyric acid, 2-phenyl-, tridec-2-yn-1-yl ester. Butyric acid, 2-phenyl-, 3-methylbut-2-yl ester. Di-(2-ethylbutyl)-2,5-diphenyl adipate. Phenbutrazate.

Find more compounds similar to Butyric acid, 2-phenyl-, 2-methyloct-5-yn-4-yl ester.

Sources

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