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68039-01-0

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Basic Information
CAS No.: 68039-01-0
Name: 1-(10-methylundecyl)-3-phenoxybenzene
Molecular Structure:
Molecular Structure of 68039-01-0 (1-(10-methylundecyl)-3-phenoxybenzene)
Formula: C24H34O
Molecular Weight: 338.5262
Synonyms: Isododecylphenoxybenzene
Density: 0.944g/cm3
Boiling Point: 434 °C at 760 mmHg
Flash Point: 215.9 °C
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Specification

The Benzene,isododecylphenoxy-, with CAS registry number 68039-01-0, has the systematic name of 1-(10-methylundecyl)-3-phenoxybenzene. Besides this, it is also called Isododecylphenoxybenzene. And the chemical formula of this chemical is C24H34O.

Physical properties of Benzene,isododecylphenoxy-: (1)ACD/LogP: 10.33; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 10.33; (4)ACD/LogD (pH 7.4): 10.33; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 9932223; (8)ACD/KOC (pH 7.4): 9932223; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 108.53 cm3; (15)Molar Volume: 358.2 cm3; (16)Polarizability: 43.02×10-24cm3; (17)Surface Tension: 34.8 dyne/cm; (18)Density: 0.944 g/cm3; (19)Flash Point: 215.9 °C; (20)Enthalpy of Vaporization: 66.34 kJ/mol; (21)Boiling Point: 434 °C at 760 mmHg; (22)Vapour Pressure: 2.49E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1)c2cc(ccc2)CCCCCCCCCC(C)C
(2)InChI: InChI=1/C24H34O/c1-21(2)14-9-6-4-3-5-7-10-15-22-16-13-19-24(20-22)25-23-17-11-8-12-18-23/h8,11-13,16-21H,3-7,9-10,14-15H2,1-2H3
(3)InChIKey: RSSGZIQBGCIYSM-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C24H34O/c1-21(2)14-9-6-4-3-5-7-10-15-22-16-13-19-24(20-22)25-23-17-11-8-12-18-23/h8,11-13,16-21H,3-7,9-10,14-15H2,1-2H3
(5)Std. InChIKey: RSSGZIQBGCIYSM-UHFFFAOYSA-N