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84681-88-9

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Basic Information
CAS No.: 84681-88-9
Name: (nonyloxy)acetaldehyde
Molecular Structure:
Molecular Structure of 84681-88-9 ((nonyloxy)acetaldehyde)
Formula: C11H22O2
Molecular Weight: 186.29118
Synonyms: Acetaldehyde,(nonyloxy)- (9CI);
EINECS: 283-549-0
Density: 0.871 g/cm3
Boiling Point: 238.1 °C at 760 mmHg
Flash Point: 77.5 °C
PSA: 26.30000
LogP: 2.95250
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Specification

The Acetaldehyde,2-(nonyloxy)- is an organic compound with the formula C11H22O2. The IUPAC name of this chemical is 2-nonoxyacetaldehyde. With the CAS registry number 84681-88-9, it is also named as (Nonyloxy)acetaldehyde.

Physical properties about Acetaldehyde,2-(nonyloxy)- are: (1)ACD/LogP: 3.61; (2)ACD/LogD (pH 5.5): 3.61; (3)ACD/LogD (pH 7.4): 3.61; (4)ACD/BCF (pH 5.5): 323.93; (5)ACD/BCF (pH 7.4): 323.93; (6)ACD/KOC (pH 5.5): 2180.64; (7)ACD/KOC (pH 7.4): 2180.64; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 10; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.427; (12)Molar Refractivity: 54.94 cm3; (13)Molar Volume: 213.7 cm3; (14)Polarizability: 21.78×10-24cm3; (15)Surface Tension: 29.5 dyne/cm; (16)Density: 0.871 g/cm3; (17)Flash Point: 77.5 °C; (18)Enthalpy of Vaporization: 47.5 kJ/mol; (19)Boiling Point: 238.1 °C at 760 mmHg; (20)Vapour Pressure: 0.0431 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CCOCCCCCCCCC
(2)InChI: InChI=1/C11H22O2/c1-2-3-4-5-6-7-8-10-13-11-9-12/h9H,2-8,10-11H2,1H3
(3)InChIKey: SMXFPNDYEFSMBP-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-10-13-11-9-12/h9H,2-8,10-11H2,1H3
(5)Std. InChIKey: SMXFPNDYEFSMBP-UHFFFAOYSA-N