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CAS No.: | 65578-65-6 |
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Name: | 2-cyclopentylhydroquinone |
Molecular Structure: | |
Formula: | C11H14O2 |
Molecular Weight: | 178.2277 |
Synonyms: | 2-Cyclopentylhydroquinone; |
EINECS: | 265-831-5 |
Density: | 1.19 g/cm3 |
Boiling Point: | 285.1 °C at 760 mmHg |
Flash Point: | 134 °C |
PSA: | 40.46000 |
LogP: | 2.75540 |
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The 1,4-Benzenediol,2-cyclopentyl-, with the CAS registry number 65578-65-6, is also known as 2-Cyclopentylhydroquinone. Its EINECS registry number is 265-831-5. This chemical's molecular formula is C11H14O2 and molecular weight is 178.2277. What's more, both its IUPAC name and systematic name are the same which is 2-Cyclopentylbenzene-1,4-diol.
Physical properties about 1,4-Benzenediol,2-cyclopentyl- are: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.6; (4)ACD/LogD (pH 7.4): 2.6; (5)ACD/BCF (pH 5.5): 55.69; (6)ACD/BCF (pH 7.4): 55.65; (7)ACD/KOC (pH 5.5): 618.35; (8)ACD/KOC (pH 7.4): 617.97; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)olar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 51.26 cm3; (15)Molar Volume: 149.7 cm3; (16)Polarizability: 20.32×10-24 cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 134 °C; (20)Enthalpy of Vaporization: 54.52 kJ/mol; (21)Boiling Point: 285.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00166 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(O)c(c1)C2CCCC2
(2) InChI: InChI=1/C11H14O2/c12-9-5-6-11(13)10(7-9)8-3-1-2-4-8/h5-8,12-13H,1-4H2
(3) InChIKey: NNTRLPYRNXLYPB-UHFFFAOYAN