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155879-96-2

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Basic Information
CAS No.: 155879-96-2
Name: 1-(1-BUTYNYL)CYCLOPENTANOL
Molecular Structure:
Molecular Structure of 155879-96-2 (1-(1-BUTYNYL)CYCLOPENTANOL)
Formula: C9H14O
Molecular Weight: 138.2069
Synonyms: Cyclopentanol,1-(1-butynyl)- (9CI);1-(1-Butynyl)cyclopentanol;
Density: 0.98 g/cm3
Boiling Point: 219.2 °C at 760 mmHg
Flash Point: 94.2 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 20.23000
LogP: 1.70490
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Specification

The Cyclopentanol,1-(1-butyn-1-yl)-, with the CAS registry number 155879-96-2, is also known as Cyclopentanol,1-(1-butynyl)- (9CI). This chemical's molecular formula is C9H14O and molecular weight is 138.2069. What's more, its systematic name is 1-(But-1-yn-1-yl)cyclopentanol. 

Physical properties about Cyclopentanol,1-(1-butyn-1-yl)- are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.43; (6)ACD/BCF (pH 7.4): 15.43; (7)ACD/KOC (pH 5.5): 246.74; (8)ACD/KOC (pH 7.4): 246.74; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 41.22 cm3; (15)Molar Volume: 139.9 cm3; (16)Polarizability: 16.34×10-24 cm3; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 94.2 °C; (20)Enthalpy of Vaporization: 52.98 kJ/mol; (21)Boiling Point: 219.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0254 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC1(C#CCC)CCCC1
(2) InChI: InChI=1/C9H14O/c1-2-3-6-9(10)7-4-5-8-9/h10H,2,4-5,7-8H2,1H3
(3) InChIKey: MUYNZFHFJRJANX-UHFFFAOYAZ