Chemical Properties of Diethylmalonic acid, 4-bromo-2-methoxyphenyl octyl ester

Diethylmalonic acid, 4-bromo-2-methoxyphenyl octyl ester

InChI
InChI=1S/C22H33BrO5/c1-5-8-9-10-11-12-15-27-20(24)22(6-2,7-3)21(25)28-18-14-13-17(23)16-19(18)26-4/h13-14,16H,5-12,15H2,1-4H3
InChI Key
UZHKNCVEXQNSFV-UHFFFAOYSA-N
Formula
C22H33BrO5
SMILES
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Br)cc1OC
Molecular Weight1
457.40
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Physical Properties

Property Value Unit Source
ΔfusH° 53.80 kJ/mol Joback Calculated Property
logPoct/wat 6.073 Crippen Calculated Property
McVol 335.330 ml/mol McGowan Calculated Property
Inp 2727.00 NIST
Tboil 669.74 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1052.59; 1117.77] J/mol×K [941.39; 1156.89] Show Hide
Cp,gas 1052.59 J/mol×K 941.39 Joback Calculated Property
Cp,gas 1066.75 J/mol×K 977.31 Joback Calculated Property
Cp,gas 1079.53 J/mol×K 1013.22 Joback Calculated Property
Cp,gas 1090.97 J/mol×K 1049.14 Joback Calculated Property
Cp,gas 1101.14 J/mol×K 1085.06 Joback Calculated Property
Cp,gas 1110.05 J/mol×K 1120.97 Joback Calculated Property
Cp,gas 1117.77 J/mol×K 1156.89 Joback Calculated Property
η [0.0000138; 0.0002110] Pa×s [558.27; 941.39] Show Hide
η 0.0002110 Pa×s 558.27 Joback Calculated Property
η 0.0001061 Pa×s 622.12 Joback Calculated Property
η 0.0000606 Pa×s 685.98 Joback Calculated Property
η 0.0000381 Pa×s 749.83 Joback Calculated Property
η 0.0000258 Pa×s 813.68 Joback Calculated Property
η 0.0000184 Pa×s 877.54 Joback Calculated Property
η 0.0000138 Pa×s 941.39 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 4-bromo-2-methoxyphenyl heptyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl decyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl dodecyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl nonyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl undecyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl tetradecyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl hexyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl pentyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl butyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl propyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl isobutyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl ethyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl 2-methylhex-3-yl ester. Diethylmalonic acid, 4-fluoro-2-methoxyphenyl tridecyl ester. Diethylmalonic acid, 4-fluoro-2-methoxyphenyl tetradecyl ester.

Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl octyl ester.

Sources

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