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69178-43-4

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Basic Information
CAS No.: 69178-43-4
Name: ISOVERTAL 411 L
Molecular Structure:
Molecular Structure of 69178-43-4 (ISOVERTAL 411 L)
Formula: C12H26O2
Molecular Weight: 202.33
Synonyms: ISOVERTAL 411 L;1,1-diethoxy-isooctan;1,1-diethoxy-Isooctane;iso-Octanaldiethylacetal;basis:Isooctanaldiethylacetal;1,1-Diethoxy-2,2,4-trimethylpentane
EINECS: 273-905-3
Density: 0.842 g/cm3
Boiling Point: 218.5 °C at 760 mmHg
Flash Point: 52.8 °C
PSA: 18.46000
LogP: 3.60190
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Specification

The Isooctane,1,1-diethoxy-, with CAS registry number 69178-43-4, has the systematic name of 1,1-diethoxy-6-methylheptane. Besides this, it is also called iso-Octanal diethylacetal. And the chemical formula of this chemical is C12H26O2. What's more, its EINECS is 273-905-3.

Physical properties of Isooctane,1,1-diethoxy-: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.15; (5)ACD/BCF (pH 5.5): 837.99; (6)ACD/BCF (pH 7.4): 837.99; (7)ACD/KOC (pH 5.5): 4305.81; (8)ACD/KOC (pH 7.4): 4305.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 61.05 cm3; (15)Molar Volume: 240 cm3; (16)Polarizability: 24.2×10-24cm3; (17)Surface Tension: 26.2 dyne/cm; (18)Density: 0.842 g/cm3; (19)Flash Point: 52.8 °C; (20)Enthalpy of Vaporization: 43.64 kJ/mol; (21)Boiling Point: 218.5 °C at 760 mmHg; (22)Vapour Pressure: 0.184 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(CC)C(OCC)CCCCC(C)C
(2)InChI: InChI=1/C12H26O2/c1-5-13-12(14-6-2)10-8-7-9-11(3)4/h11-12H,5-10H2,1-4H3
(3)InChIKey: UGEOLDGWHXDZBP-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C12H26O2/c1-5-13-12(14-6-2)10-8-7-9-11(3)4/h11-12H,5-10H2,1-4H3
(5)Std. InChIKey: UGEOLDGWHXDZBP-UHFFFAOYSA-N