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22531-00-6

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Basic Information
CAS No.: 22531-00-6
Name: 3-butylcyclopentene
Molecular Structure:
Molecular Structure of 22531-00-6 (3-butylcyclopentene)
Formula: C9H16
Molecular Weight: 124.226
Synonyms: 3-Butyl-1-cyclopentene;3-Butylcyclopentene;
Density: 0.814 g/cm3
Boiling Point: 153.1 °C at 760 mmHg
Flash Point: 29.4 °C
PSA: 0.00000
LogP: 3.14280
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    Cyclopentene, 3-butyl-

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  • Cyclopentene, 3-butyl-

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    Cyclopentene, 3-butyl-

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  • Cyclopentene,3-butyl-

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    Cyclopentene,3-butyl-

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  • 3-butylcyclopentene

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    3-butylcyclopentene

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Specification

The Cyclopentene, 3-butyl-, with the CAS registry number 22531-00-6, is also known as 3-Butyl-1-cyclopentene. This chemical's molecular formula is C9H16 and molecular weight is 124.22. What's more, its IUPAC name is 3-butylcyclopentene. 

Physical properties of Cyclopentene, 3-butyl- are: (1)ACD/LogP: 4.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.42; (4)ACD/LogD (pH 7.4): 4.42; (5)ACD/BCF (pH 5.5): 1338.71; (6)ACD/BCF (pH 7.4): 1338.71; (7)ACD/KOC (pH 5.5): 6021.17; (8)ACD/KOC (pH 7.4): 6021.17; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.453; (11)Molar Refractivity: 41.25 cm3; (12)Molar Volume: 152.5 cm3; (13)Polarizability: 16.35×10-24cm3; (14)Surface Tension: 29.3 dyne/cm; (15)Density: 0.814 g/cm3; (16)Flash Point: 29.4 °C; (17)Enthalpy of Vaporization: 37.39 kJ/mol; (18)Boiling Point: 153.1 °C at 760 mmHg; (19)Vapour Pressure: 4.33 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC1CCC=C1
(2)InChI: InChI=1S/C9H16/c1-2-3-6-9-7-4-5-8-9/h4,7,9H,2-3,5-6,8H2,1H3
(3)InChIKey: OCVYLEAVUIYGLL-UHFFFAOYSA-N