Heptanoic acid, heptyl ester


Chemical Name: Heptanoic acid, heptyl ester
CAS Number: 624-09-9
Product Number: AG003QV5(AGN-PC-0JL8YS)
Synonyms:
MDL No:
Molecular Formula: C14H28O2
Molecular Weight: 228.3709

Identification/Properties


Properties
MP:
-33°C
BP:
277.0°C
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D1.431
Computed Properties
Molecular Weight:
228.376g/mol
XLogP3:
5.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
12
Exact Mass:
228.209g/mol
Monoisotopic Mass:
228.209g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
155
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:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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