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

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

InChI
InChI=1S/C18H25BrO5/c1-6-18(7-2,16(20)23-11-12(3)4)17(21)24-14-9-8-13(19)10-15(14)22-5/h8-10,12H,6-7,11H2,1-5H3
InChI Key
DGWIJMXIPRGFQK-UHFFFAOYSA-N
Formula
C18H25BrO5
SMILES
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1ccc(Br)cc1OC
Molecular Weight1
401.29
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Physical Properties

Property Value Unit Source
ΔfusH° 39.91 kJ/mol Joback Calculated Property
logPoct/wat 4.369 Crippen Calculated Property
McVol 278.970 ml/mol McGowan Calculated Property
Inp 2317.00 NIST
Tboil 639.65 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 [819.15; 884.23] J/mol×K [849.43; 1064.91] Show Hide
Cp,gas 819.15 J/mol×K 849.43 Joback Calculated Property
Cp,gas 833.07 J/mol×K 885.34 Joback Calculated Property
Cp,gas 845.72 J/mol×K 921.26 Joback Calculated Property
Cp,gas 857.12 J/mol×K 957.17 Joback Calculated Property
Cp,gas 867.32 J/mol×K 993.09 Joback Calculated Property
Cp,gas 876.35 J/mol×K 1029.00 Joback Calculated Property
Cp,gas 884.23 J/mol×K 1064.91 Joback Calculated Property
η [0.0000242; 0.0004078] Pa×s [498.19; 849.43] Show Hide
η 0.0004078 Pa×s 498.19 Joback Calculated Property
η 0.0001989 Pa×s 556.73 Joback Calculated Property
η 0.0001112 Pa×s 615.27 Joback Calculated Property
η 0.0000688 Pa×s 673.81 Joback Calculated Property
η 0.0000460 Pa×s 732.35 Joback Calculated Property
η 0.0000326 Pa×s 790.89 Joback Calculated Property
η 0.0000242 Pa×s 849.43 Joback Calculated Property

Similar Compounds

Diethylmalonic acid, 4-bromo-2-methoxyphenyl propyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl butyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl pentyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl hexyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl octyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl nonyl ester. 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 undecyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl tetradecyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl ethyl ester. Diethylmalonic acid, isobutyl 4-fluoro-2-methoxyphenyl ester. Diethylmalonic acid, 4-bromo-2-methoxyphenyl 2-methylhex-3-yl ester. Diethylmalonic acid, 2,6-dimethoxyphenyl isobutyl ester.

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

Sources

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