1,4-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester


Chemical Name: 1,4-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester
CAS Number: 155603-50-2
Product Number: AG001O21(AGN-PC-0JELJA)
Synonyms:
MDL No:
Molecular Formula: C16H21O4-
Molecular Weight: 277.3355

Identification/Properties


Properties
MP:
106 - 108ºC
BP:
411°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
278.348g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
9
Exact Mass:
278.152g/mol
Monoisotopic Mass:
278.152g/mol
Topological Polar Surface Area:
63.6A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
306
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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