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35293-37-9

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Basic Information
CAS No.: 35293-37-9
Name: Benzene, (1,1,3,3-tetramethylbutyl)-
Article Data: 8
Molecular Structure:
Molecular Structure of 35293-37-9 (Benzene, (1,1,3,3-tetramethylbutyl)-)
Formula: C14H22
Molecular Weight: 190.329
Synonyms: tert-Octylbenzene;
Density: 0.857 g/cm3
Boiling Point: 241.045 °C at 760 mmHg
Flash Point: 92.183 °C
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Specification

The (1,1,3,3-Tetramethylbutyl)benzene, with the CAS registry number 35293-37-9, is also known as tert-Octylbenzene. This chemical's molecular formula is C14H22 and molecular weight is 190.32. What's more, its systematic name is (2,4,4-Trimethyl-2-pentanyl)benzene.

Physical properties of (1,1,3,3-Tetramethylbutyl)benzene are: (1)ACD/LogP: 5.666; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.67; (4)ACD/LogD (pH 7.4): 5.67; (5)ACD/BCF (pH 5.5): 11921.10; (6)ACD/BCF (pH 7.4): 11921.10; (7)ACD/KOC (pH 5.5): 28801.55; (8)ACD/KOC (pH 7.4): 28801.55; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.48; (13)Molar Refractivity: 63.137 cm3; (14)Molar Volume: 222.196 cm3; (15)Polarizability: 25.03×10-24cm3; (16)Surface Tension: 27.7 dyne/cm; (17)Density: 0.857 g/cm3; (18)Flash Point: 92.183 °C; (19)Enthalpy of Vaporization: 45.861 kJ/mol; (20)Boiling Point: 241.045 °C at 760 mmHg; (21)Vapour Pressure: 0.06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccccc1C(CC(C)(C)C)(C)C
(2)Std. InChI: InChI=1S/C14H22/c1-13(2,3)11-14(4,5)12-9-7-6-8-10-12/h6-10H,11H2,1-5H3
(3)Std. InChIKey: CQMDBLRKZWOZIW-UHFFFAOYSA-N