Chemical Properties of 4-Oxo-4-phenylbutyric acid, 2-methyloct-5-yn-4-yl ester

4-Oxo-4-phenylbutyric acid, 2-methyloct-5-yn-4-yl ester

InChI
InChI=1S/C19H24O3/c1-4-5-11-17(14-15(2)3)22-19(21)13-12-18(20)16-9-7-6-8-10-16/h6-10,15,17H,4,12-14H2,1-3H3
InChI Key
KDIQZXWQIFWWPS-UHFFFAOYSA-N
Formula
C19H24O3
SMILES
CCC#CC(CC(C)C)OC(=O)CCC(=O)c1ccccc1
Molecular Weight1
300.40
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Physical Properties

Property Value Unit Source
ΔfH°gas -356.81 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 41.05 kJ/mol Joback Calculated Property
ΔvapH° 96.93 kJ/mol Relay (1.0) Calculated Property
IE 8.94 eV Relay (1.0) Calculated Property
logPoct/wat 4.021 Crippen Calculated Property
McVol 255.220 ml/mol McGowan Calculated Property
Inp 2236.00 NIST
Tboil 604.65 K Relay (1.0) Calculated Property
Tfus 312.86 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 [351.02; 818.11] 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-1.32600e+00
Coefficient B1.50916e+00
Coefficient C-8.41960e-04
Coefficient D1.52240e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 351.02 J/mol×K 273.00 Calculated Property
Cp,gas 433.94 J/mol×K 353.78 Calculated Property
Cp,gas 507.99 J/mol×K 434.56 Calculated Property
Cp,gas 573.63 J/mol×K 515.33 Calculated Property
Cp,gas 631.36 J/mol×K 596.11 Calculated Property
Cp,gas 681.65 J/mol×K 676.89 Calculated Property
Cp,gas 725.00 J/mol×K 757.67 Calculated Property
Cp,gas 761.87 J/mol×K 838.44 Calculated Property
Cp,gas 792.74 J/mol×K 919.22 Calculated Property
Cp,gas 818.11 J/mol×K 1000.00 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, 2-phenyl-, 2-methyloct-5-yn-4-yl ester. 3-Phenylpropionic acid, 2-methyloct-5-yn-4-yl ester. Hydratropic acid, 2-methyloct-5-yn-4-yl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, 2-methyloct-5-en-4-yl ester. Butyric acid, 2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Hydratropic acid, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Cyclopropanecarboxylic acid, trans-2-phenyl-, 2,7-dimethyloct-1-en-3-yn-5-yl ester. Succinic acid, 2-methylpent-3-yl 4-(4-methoxyphenyl)cyclohexyl ester. 4-butylbenzoic acid, 2-methyloct-5-yn-4-yl ester. Succinic acid, 2-ethylhexyl 4-(4-methoxyphenyl)cyclohexyl ester. Succinic acid, cyclohexylmethyl 4-(4-methoxyphenyl)cyclohexyl ester. 3-Phenylpropionic acid, 2,7-dimethyloct-7-en-5-yn-4-yl ester. Succinic acid, 3-methylbut-2-yl 4-(4-methoxyphenyl)cyclohexyl ester.

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

Sources

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