Acetic acid, heptyl ester

CAS	112-06-1
Structure
IUPAC Name	Heptyl acetate
Molecular Weight	158.24
Canonical SMILES	CCCCCCCOC(=O)C
InChI	InChI=1S/C9H18O2/c1-3-4-5-6-7-8-11-9(2)10/h3-8H2,1-2H3
InChI Key	ZCZSIDMEHXZRLG-UHFFFAOYSA-N
Boiling Point	192 °C
Melting Point	-50 °C
Flash Point	154 °F
Purity	99%
Density	0,87 g/cm³
Solubility	Soluble in alcohol, ether; insoluble in water
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Physical State	Liquid
Refractive Index	n20/D 1.414(lit.)
Topological Polar Surface Area	26.3 Ų