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Phenol,2,6-dicyclopentyl-

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Phenol,2,6-dicyclopentyl-

EINECS 266-052-3
CAS No. 66003-79-0 Density 1.072g/cm3
PSA 20.23000 LogP 4.70740
Solubility N/A Melting Point N/A
Formula C16H22O Boiling Point 268.6°C at 760mmHg
Molecular Weight 230.35 Flash Point 122.8°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 66003-79-0 (2,6-dicyclopentylphenol) Hazard Symbols N/A
Synonyms

2,6-dicyclopentylphenol

Article Data 3

Phenol,2,6-dicyclopentyl- Specification

The Phenol,2,6-dicyclopentyl-, with CAS registry number 66003-79-0, has the systematic name of 2,6-dicyclopentylphenol. Its molecular weight is 230.3453. And the chemical formula of this chemical is C16H22O. What's more, its EINECS is 266-052-3.

Physical properties of Phenol,2,6-dicyclopentyl-: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.39; (4)ACD/LogD (pH 7.4): 5.39; (5)ACD/BCF (pH 5.5): 7387; (6)ACD/BCF (pH 7.4): 7383.94; (7)ACD/KOC (pH 5.5): 20447.46; (8)ACD/KOC (pH 7.4): 20439; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 70.63 cm3; (15)Molar Volume: 214.7 cm3; (16)Polarizability: 28×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.072 g/cm3; (19)Flash Point: 122.8 °C; (20)Enthalpy of Vaporization: 52.71 kJ/mol; (21)Boiling Point: 268.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00461 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1c(cccc1C2CCCC2)C3CCCC3
(2)InChI: InChI=1/C16H22O/c17-16-14(12-6-1-2-7-12)10-5-11-15(16)13-8-3-4-9-13/h5,10-13,17H,1-4,6-9H2
(3)InChIKey: BMTAWHXOXODJBS-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C16H22O/c17-16-14(12-6-1-2-7-12)10-5-11-15(16)13-8-3-4-9-13/h5,10-13,17H,1-4,6-9H2
(5)Std. InChIKey: BMTAWHXOXODJBS-UHFFFAOYSA-N

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