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Name |
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 | Hazard Symbols | N/A | |
Synonyms |
2,6-dicyclopentylphenol |
Article Data | 3 |
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