Chemical Properties of Diglycolic acid, 4-bromophenyl isobutyl ester

Diglycolic acid, 4-bromophenyl isobutyl ester

InChI
InChI=1S/C14H17BrO5/c1-10(2)7-19-13(16)8-18-9-14(17)20-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3
InChI Key
FEEBAZSOAHUQMQ-UHFFFAOYSA-N
Formula
C14H17BrO5
SMILES
CC(C)COC(=O)COCC(=O)Oc1ccc(Br)cc1
Molecular Weight1
345.19
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Physical Properties

Property Value Unit Source
Δfus 37.36 kJ/mol Joback Calculated Property
IE 8.39 eV Relay (1.0) Calculated Property
logPoct/wat 2.570 Crippen Calculated Property
McVol 222.610 ml/mol McGowan Calculated Property
Inp [2701.00; 2701.00]   Show Hide
Inp 2701.00 NIST
Inp 2701.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [596.54; 658.76] J/mol×K [756.16; 970.23] Show Hide
Cp,gas 596.54 J/mol×K 756.16 Joback Calculated Property
Cp,gas 609.61 J/mol×K 791.84 Joback Calculated Property
Cp,gas 621.60 J/mol×K 827.52 Joback Calculated Property
Cp,gas 632.50 J/mol×K 863.19 Joback Calculated Property
Cp,gas 642.32 J/mol×K 898.87 Joback Calculated Property
Cp,gas 651.07 J/mol×K 934.55 Joback Calculated Property
Cp,gas 658.76 J/mol×K 970.23 Joback Calculated Property
η [0.0000556; 0.0008452] Pa×s [438.17; 756.16] Show Hide
η 0.0008452 Pa×s 438.17 Joback Calculated Property
η 0.0004205 Pa×s 491.17 Joback Calculated Property
η 0.0002397 Pa×s 544.17 Joback Calculated Property
η 0.0001510 Pa×s 597.17 Joback Calculated Property
η 0.0001025 Pa×s 650.16 Joback Calculated Property
η 0.0000738 Pa×s 703.16 Joback Calculated Property
η 0.0000556 Pa×s 756.16 Joback Calculated Property

Similar Compounds

Diglycolic acid, 4-bromophenyl propyl ester. Diglycolic acid, isobutyl 4-methoxyphenyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl isobutyl ester. Diglycolic acid, 4-chlorophenyl isobutyl ester. Diglycolic acid, isobutyl 2-naphthyl ester. Diglycolic acid, 4-bromophenyl butyl ester. Diglycolic acid, 4-bromophenyl pentyl ester. Diglycolic acid, isobutyl 2-methoxyphenyl ester. Diglycolic acid, 4-bromophenyl hexyl ester. Diglycolic acid, 4-bromophenyl octyl ester. Diglycolic acid, 4-bromophenyl heptyl ester. Diglycolic acid, 4-bromophenyl isohexyl ester. Diglycolic acid, isobutyl 3-methylphenyl ester. Diglycolic acid, 2-chlorophenyl isobutyl ester. Diglycolic acid, 2-bromo-4-fluorophenyl propyl ester.

Find more compounds similar to Diglycolic acid, 4-bromophenyl isobutyl ester.

Sources

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