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21078-81-9

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Basic Information
CAS No.: 21078-81-9
Name: 2-BUTYL-1-DECANOL
Article Data: 3
Molecular Structure:
Molecular Structure of 21078-81-9 (2-BUTYL-1-DECANOL)
Formula: C14H30O
Molecular Weight: 214.392
Synonyms: 2-Butyl-1-decanol;2-Butyldecanol;2-Butyldecyl alcohol;
Density: 0.833g/cm3
Boiling Point: 275.713 °C at 760 mmHg
Flash Point: 110.41 °C
PSA: 20.23000
LogP: 4.53570
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Specification

The 1-Decanol,2-butyl-, with CAS registry number 21078-81-9, has the systematic name of 2-butyldecan-1-ol. Besides this, it is also called 2-Butyl-1-decanol. Its molecular weight is 214.39. And the chemical formula of this chemical is C14H30O.

Physical properties of 1-Decanol,2-butyl-: (1)ACD/LogP: 5.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 21558; (6)ACD/BCF (pH 7.4): 21558; (7)ACD/KOC (pH 5.5): 44013; (8)ACD/KOC (pH 7.4): 44013; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 68.403 cm3; (15)Molar Volume: 257.513 cm3; (16)Polarizability: 27.117×10-24cm3; (17)Surface Tension: 30.116 dyne/cm; (18)Density: 0.833 g/cm3; (19)Flash Point: 110.41 °C; (20)Enthalpy of Vaporization: 59.691 kJ/mol; (21)Boiling Point: 275.713 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCC(CCCCCCCC)CCCC
(2)InChI: InChI=1/C14H30O/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h14-15H,3-13H2,1-2H3
(3)InChIKey: FAOVRYZLXQUFRR-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C14H30O/c1-3-5-7-8-9-10-12-14(13-15)11-6-4-2/h14-15H,3-13H2,1-2H3
(5)Std. InChIKey: FAOVRYZLXQUFRR-UHFFFAOYSA-N