1,2-Benzenedicarboxylic acid, dipentyl ester


Chemical Name: 1,2-Benzenedicarboxylic acid, dipentyl ester
CAS Number: 131-18-0
Product Number: AG000VAF(AGN-PC-0JK8M1)
Synonyms:
MDL No:
Molecular Formula: C18H26O4
Molecular Weight: 306.3966

Identification/Properties


Properties
MP:
-55 °C
BP:
342°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.490
Computed Properties
Molecular Weight:
306.402g/mol
XLogP3:
5.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
12
Exact Mass:
306.183g/mol
Monoisotopic Mass:
306.183g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
295
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3082
Hazard Statements:
H360-H400
Precautionary Statements:
P201-P273-P308+P313
Class:
9
Packing Group:

NMR Spectrum


Other Analytical Data


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