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CAS No.: | 52762-67-1 |
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Name: | 4-tert-butyl-2-cyclopentylphenol |
Molecular Structure: | |
Formula: | C15H22O |
Molecular Weight: | 218.33 |
Synonyms: | 4-tert-Butyl-2-cyclopentylphenol;2-Cyclopentyl-4-(1,1-dimethylethyl)phenol; |
EINECS: | 258-158-3 |
Density: | 1.001 g/cm3 |
Boiling Point: | 273.6 °C at 760 mmHg |
Flash Point: | 125.5 °C |
PSA: | 20.23000 |
LogP: | 4.34730 |
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The Phenol,2-cyclopentyl-4-(1,1-dimethylethyl)-, with the CAS registry number 52762-67-1, is also known as 2-Cyclopentyl-4-(1,1-dimethylethyl)phenol. This chemical's molecular formula is C15H22O and molecular weight is 218.33. What's more, its systematic name is 4-tert-Butyl-2-cyclopentylphenol and its EINECS number is 258-158-3.
Physical properties of Phenol,2-cyclopentyl-4-(1,1-dimethylethyl)- are: (1)ACD/LogP: 5.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.13; (4)ACD/LogD (pH 7.4): 5.13; (5)ACD/BCF (pH 5.5): 4629.17; (6)ACD/BCF (pH 7.4): 4626.22; (7)ACD/KOC (pH 5.5): 14633.88; (8)ACD/KOC (pH 7.4): 14624.55; (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: 1.534; (14)Molar Refractivity: 67.77 cm3; (15)Molar Volume: 218 cm3; (16)Polarizability: 26.86×10-24 cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.001 g/cm3; (19)Flash Point: 125.5 °C; (20)Enthalpy of Vaporization: 53.25 kJ/mol; (21)Boiling Point: 273.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0034 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(cc1C2CCCC2)C(C)(C)C
(2)InChI: InChI=1/C15H22O/c1-15(2,3)12-8-9-14(16)13(10-12)11-6-4-5-7-11/h8-11,16H,4-7H2,1-3H3
(3)InChIKey: VEZHYEYZBFZZMB-UHFFFAOYSA-N