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

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

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InChI
InChI=1S/C19H27BrO5/c1-5-8-9-12-24-17(21)19(6-2,7-3)18(22)25-15-11-10-14(20)13-16(15)23-4/h10-11,13H,5-9,12H2,1-4H3
InChI Key
NEKOTBFAMMLUQK-UHFFFAOYSA-N
Formula
C19H27BrO5
SMILES
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Br)cc1OC
Molecular Weight1
415.32
Sources

Physical Properties

Property Value Unit Source
Δf -353.43 kJ/mol Joback Calculated Property
Δfgas -826.14 kJ/mol Joback Calculated Property
Δfus 42.86 kJ/mol Joback Calculated Property
Δvap 87.35 kJ/mol Joback Calculated Property
logPoct/wat 4.90 Crippen Calculated Property
Pc 1504.65 kPa Joback Calculated Property
Tboil 908.69 K Joback Calculated Property
Tc 1125.95 K Joback Calculated Property
Tfus 584.12 K Joback Calculated Property
Vc 1.11 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 886.78 J/mol×K 908.69 Joback Calculated Property
η 0.00 Pa×s 908.69 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 3
>C=O (nonring) 2
=CH- (ring) 3
=C< (ring) 3
-CH2- 6
>C< 1
-CH3 4
-Br 1

Similar Compounds

Diethylmalonic acid, 4-bromo-2-methoxyphenyl hexyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl butyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl propyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl tetradecyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl decyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl nonyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl undecyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl heptyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl octyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl dodecyl 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, 2-isopropoxyphenyl pentyl ester. Diethylmalonic acid, hexyl 2-isopropoxyphenyl ester.

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