Octanoic acid, methyl ester


Chemical Name: Octanoic acid, methyl ester
CAS Number: 111-11-5
Product Number: AG003S1K(AGN-PC-0JK8DE)
Synonyms:
MDL No:
Molecular Formula: C9H18O2
Molecular Weight: 158.2380

Identification/Properties


Properties
MP:
-41--36.7 °C
BP:
194-195°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.418
Solubility:
water: insoluble
Computed Properties
Molecular Weight:
158.241g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
7
Exact Mass:
158.131g/mol
Monoisotopic Mass:
158.131g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
99.7
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


NMR Spectrum


Other Analytical Data


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