Chemical Properties of Pimelic acid, 4-bromo-2-methoxybenzyl isobutyl ester

Pimelic acid, 4-bromo-2-methoxybenzyl isobutyl ester

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InChI
InChI=1S/C19H27BrO5/c1-14(2)12-24-18(21)7-5-4-6-8-19(22)25-13-15-9-10-16(20)11-17(15)23-3/h9-11,14H,4-8,12-13H2,1-3H3
InChI Key
UTKHLSAVNFGCNK-UHFFFAOYSA-N
Formula
C19H27BrO5
SMILES
COc1cc(Br)ccc1COC(=O)CCCCCC(=O)OCC(C)C
Molecular Weight1
415.32
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Physical Properties

Property Value Unit Source
Δf -358.71 kJ/mol Joback Calculated Property
Δfgas -822.67 kJ/mol Joback Calculated Property
Δfus 46.75 kJ/mol Joback Calculated Property
Δvap 88.26 kJ/mol Joback Calculated Property
log10WS -5.72 Crippen Calculated Property
logPoct/wat 4.651 Crippen Calculated Property
McVol 293.060 ml/mol McGowan Calculated Property
Pc 1491.89 kPa Joback Calculated Property
Inp [2702.00; 2702.00]   Show Hide
Inp 2702.00 NIST
Inp 2702.00 NIST
Tboil 911.48 K Joback Calculated Property
Tc 1125.70 K Joback Calculated Property
Tfus 566.70 K Joback Calculated Property
Vc 1.113 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [886.61; 949.77] J/mol×K [911.48; 1125.70] Show Hide
Cp,gas 886.61 J/mol×K 911.48 Joback Calculated Property
Cp,gas 900.24 J/mol×K 947.18 Joback Calculated Property
Cp,gas 912.61 J/mol×K 982.89 Joback Calculated Property
Cp,gas 923.74 J/mol×K 1018.59 Joback Calculated Property
Cp,gas 933.63 J/mol×K 1054.29 Joback Calculated Property
Cp,gas 942.30 J/mol×K 1090.00 Joback Calculated Property
Cp,gas 949.77 J/mol×K 1125.70 Joback Calculated Property
η [0.0000344; 0.0002932] Pa×s [566.70; 911.48] Show Hide
η 0.0002932 Pa×s 566.70 Joback Calculated Property
η 0.0001740 Pa×s 624.16 Joback Calculated Property
η 0.0001128 Pa×s 681.63 Joback Calculated Property
η 0.0000782 Pa×s 739.09 Joback Calculated Property
η 0.0000571 Pa×s 796.55 Joback Calculated Property
η 0.0000436 Pa×s 854.02 Joback Calculated Property
η 0.0000344 Pa×s 911.48 Joback Calculated Property

Similar Compounds

Pimelic acid, 4-bromo-2-methoxybenzyl propyl ester. Pimelic acid, 4-bromo-2-methoxybenzyl butyl ester. Pimelic acid, 4-bromo-2-methoxybenzyl pentyl ester. Pimelic acid, 4-bromo-2-methoxybenzyl heptyl ester. Pimelic acid, 4-bromo-2-methoxybenzyl octyl ester. Pimelic acid, 4-bromo-2-methoxybenzyl hexyl ester. Pimelic acid, 4-bromo-2-methoxybenzyl ethyl ester. Sebacic acid, isobutyl 2-methoxybenzyl ester. Pimelic acid, 4-bromo-2-methoxybenzyl 4-methyl-2-pentyl ester. Sebacic acid, 2-methoxybenzyl propyl ester. Glutaric acid, isobutyl 2-methoxybenzyl ester. Sebacic acid, 2-methoxybenzyl pentyl ester. Sebacic acid, butyl 2-methoxybenzyl ester. Sebacic acid, heptyl 2-methoxybenzyl ester. Sebacic acid, hexyl 2-methoxybenzyl ester.

Find more compounds similar to Pimelic acid, 4-bromo-2-methoxybenzyl isobutyl ester.

Sources

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