Chemical Properties of Phthalic acid, 5-bromo-2-methoxybenzyl isobutyl ester

Phthalic acid, 5-bromo-2-methoxybenzyl isobutyl ester

InChI
InChI=1S/C20H21BrO5/c1-13(2)11-25-19(22)16-6-4-5-7-17(16)20(23)26-12-14-10-15(21)8-9-18(14)24-3/h4-10,13H,11-12H2,1-3H3
InChI Key
VAFNTFBFKXHXOZ-UHFFFAOYSA-N
Formula
C20H21BrO5
SMILES
COc1ccc(Br)cc1COC(=O)c1ccccc1C(=O)OCC(C)C
Molecular Weight1
421.29
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Physical Properties

Property Value Unit Source
ΔfusH° 46.16 kJ/mol Joback Calculated Property
log10WS -5.74 Relay (1.0) Calculated Property
logPoct/wat 4.627 Crippen Calculated Property
McVol 283.390 ml/mol McGowan Calculated Property
Inp [2742.00; 2742.00]   Show Hide
Inp 2742.00 NIST
Inp 2742.00 NIST
Tboil 687.22 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 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 [829.92; 875.88] J/mol×K [930.08; 1163.04] Show Hide
Cp,gas 829.92 J/mol×K 930.08 Joback Calculated Property
Cp,gas 841.29 J/mol×K 968.91 Joback Calculated Property
Cp,gas 851.15 J/mol×K 1007.73 Joback Calculated Property
Cp,gas 859.51 J/mol×K 1046.56 Joback Calculated Property
Cp,gas 866.40 J/mol×K 1085.39 Joback Calculated Property
Cp,gas 871.85 J/mol×K 1124.21 Joback Calculated Property
Cp,gas 875.88 J/mol×K 1163.04 Joback Calculated Property
η [0.0000236; 0.0002588] Pa×s [557.25; 930.08] Show Hide
η 0.0002588 Pa×s 557.25 Joback Calculated Property
η 0.0001421 Pa×s 619.39 Joback Calculated Property
η 0.0000870 Pa×s 681.53 Joback Calculated Property
η 0.0000578 Pa×s 743.66 Joback Calculated Property
η 0.0000410 Pa×s 805.80 Joback Calculated Property
η 0.0000305 Pa×s 867.94 Joback Calculated Property
η 0.0000236 Pa×s 930.08 Joback Calculated Property

Similar Compounds

Phthalic acid, 5-bromo-2-methoxybenzyl propyl ester. Phthalic acid, 5-bromo-2-methoxybenzyl butyl ester. Phthalic acid, 5-bromo-2-methoxybenzyl pentyl ester. Phthalic acid, isobutyl 2-methoxybenzyl ester. Phthalic acid, 5-bromo-2-methoxybenzyl hexyl ester. Phthalic acid, 5-bromo-2-methoxybenzyl tridecyl ester. Phthalic acid, 5-bromo-2-methoxybenzyl octyl ester. Phthalic acid, 5-bromo-2-methoxybenzyl undecyl ester. Phthalic acid, 5-bromo-2-methoxybenzyl heptyl ester. Phthalic acid, 5-bromo-2-methoxybenzyl decyl ester. Phthalic acid, 5-bromo-2-methoxybenzyl dodecyl ester. Phthalic acid, 5-bromo-2-methoxybenzyl nonyl ester. Phthalic acid, 4-chloro-2-methoxybenzyl isobutyl ester. Phthalic acid, 2-methoxybenzyl propyl ester. Phthalic acid, butyl 2-methoxybenzyl ester.

Find more compounds similar to Phthalic acid, 5-bromo-2-methoxybenzyl isobutyl ester.

Sources

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