Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 4-bromophenyl ester

Glutaric acid, tridec-2-yn-1-yl 4-bromophenyl ester

InChI
InChI=1S/C24H33BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-20-28-23(26)14-13-15-24(27)29-22-18-16-21(25)17-19-22/h16-19H,2-10,13-15,20H2,1H3
InChI Key
IZFRFWDOJNWWRK-UHFFFAOYSA-N
Formula
C24H33BrO4
SMILES
CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc1ccc(Br)cc1
Molecular Weight1
465.42
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Physical Properties

Property Value Unit Source
ΔfusH° 68.71 kJ/mol Joback Calculated Property
logPoct/wat 6.602 Crippen Calculated Property
McVol 349.040 ml/mol McGowan Calculated Property
Inp [3253.00; 3253.00]   Show Hide
Inp 3253.00 NIST
Inp 3253.00 NIST
Tboil 695.44 K Relay (1.0) Calculated Property
Tfus 320.33 K Relay (1.0) Calculated Property

Cheméo can also estimate 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 [489.67; 1100.11] 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 A3.80330e+01
Coefficient B1.92422e+00
Coefficient C-1.03602e-03
Coefficient D1.73880e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 489.67 J/mol×K 273.00 Calculated Property
Cp,gas 596.81 J/mol×K 353.78 Calculated Property
Cp,gas 692.84 J/mol×K 434.56 Calculated Property
Cp,gas 778.31 J/mol×K 515.33 Calculated Property
Cp,gas 853.77 J/mol×K 596.11 Calculated Property
Cp,gas 919.76 J/mol×K 676.89 Calculated Property
Cp,gas 976.84 J/mol×K 757.67 Calculated Property
Cp,gas 1025.56 J/mol×K 838.44 Calculated Property
Cp,gas 1066.47 J/mol×K 919.22 Calculated Property
Cp,gas 1100.11 J/mol×K 1000.00 Calculated Property

Similar Compounds

Glutaric acid, tridec-2-yn-1-yl 4-bromo-2-methoxyphenyl ester. Glutaric acid, tridec-2-yn-1-yl 3-fluorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 2-bromo-4-fluorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 2,4-dichlorophenyl ester. Glutaric acid, tridec-2-yn-1-yl 2-methylphenyl ester. Glutaric acid, tridec-2-yn-1-yl 4-acetylphenyl ester. Glutaric acid, tridec-2-yn-1-yl 4-chloro-2-methoxyphenyl ester. Glutaric acid, tridec-2-yn-1-yl 4-fluoro-2-methoxyphenyl ester. Glutaric acid, 4-bromophenyl tridecyl ester. Glutaric acid, 4-bromophenyl hexyl ester. Glutaric acid, 4-bromophenyl tetradecyl ester. Glutaric acid, 4-bromophenyl nonyl ester. Glutaric acid, 4-bromophenyl heptyl ester. Glutaric acid, 4-bromophenyl pentadecyl ester. Glutaric acid, 4-bromophenyl dodecyl ester.

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 4-bromophenyl ester.

Sources

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