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

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

InChI
InChI=1S/C20H29BrO5/c1-5-8-9-10-13-25-18(22)20(6-2,7-3)19(23)26-16-12-11-15(21)14-17(16)24-4/h11-12,14H,5-10,13H2,1-4H3
InChI Key
SHDNEOLLXNVUPM-UHFFFAOYSA-N
Formula
C20H29BrO5
SMILES
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Br)cc1OC
Molecular Weight1
429.35
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Physical Properties

Property Value Unit Source
ΔfusH° 48.62 kJ/mol Joback Calculated Property
logPoct/wat 5.293 Crippen Calculated Property
McVol 307.150 ml/mol McGowan Calculated Property
Inp 2543.00 NIST
Tboil 655.28 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 [934.30; 999.53] J/mol×K [895.63; 1108.31] Show Hide
Cp,gas 934.30 J/mol×K 895.63 Joback Calculated Property
Cp,gas 948.28 J/mol×K 931.08 Joback Calculated Property
Cp,gas 960.97 J/mol×K 966.52 Joback Calculated Property
Cp,gas 972.40 J/mol×K 1001.97 Joback Calculated Property
Cp,gas 982.61 J/mol×K 1037.42 Joback Calculated Property
Cp,gas 991.64 J/mol×K 1072.87 Joback Calculated Property
Cp,gas 999.53 J/mol×K 1108.31 Joback Calculated Property
η [0.0000192; 0.0002750] Pa×s [535.73; 895.63] Show Hide
η 0.0002750 Pa×s 535.73 Joback Calculated Property
η 0.0001411 Pa×s 595.71 Joback Calculated Property
η 0.0000818 Pa×s 655.70 Joback Calculated Property
η 0.0000519 Pa×s 715.68 Joback Calculated Property
η 0.0000354 Pa×s 775.66 Joback Calculated Property
η 0.0000255 Pa×s 835.65 Joback Calculated Property
η 0.0000192 Pa×s 895.63 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 4-bromo-2-methoxyphenyl undecyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl heptyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl dodecyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl tetradecyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl nonyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl octyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl decyl 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, dodecyl 4-fluoro-2-methoxyphenyl ester. Diethylmalonic acid, 4-fluoro-2-methoxyphenyl heptyl ester.

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

Sources

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