Description
Liquid
Synonyms
2-Ethylcaproic
IUPAC Name
Sodium;2-ethylhexanoate
Molecular Weight
166.19
Molecular Formula
C8H15NaO2
Canonical SMILES
CCCCC(CC)C(=O)[O-].[Na+]
InChI
InChI=1S/C8H16O2.Na/c1-3-5-6-7(4-2)8(9)10;/h7H,3-6H2,1-2H3,(H,9,10);/q;+1/p-1
InChI Key
VYPDUQYOLCLEGS-UHFFFAOYSA-M
Boiling Point
157 °C
Melting Point
>300 °C(lit.)
Purity
98%
Density
1.07 g/cm³ at 20 °C
Solubility
Soluble in water
Appearance
White to off-white solid
Storage
Inert atmosphere, room temperature
Complexity
104
Covalently-Bonded Unit Count
2
EC Number
243-283-8
Exact Mass
166.09697400
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
0
Heavy Atom Count
11
Monoisotopic Mass
166.09697400
Physical State
Solid
Rotatable Bond Count
5
Topological Polar Surface Area
40.1 Ų
