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3603-99-4

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Basic Information
CAS No.: 3603-99-4
Name: cyclotetradecan-1-one
Article Data: 27
Molecular Structure:
Molecular Structure of 3603-99-4 (cyclotetradecan-1-one)
Formula: C14H26O
Molecular Weight: 210.36
Synonyms: cyclotetradecan-1-one;CYCLOTETRADECANONE;Cyclotetradecane-1-one;Einecs 222-758-3
EINECS: 222-758-3
Density: 0.859 g/cm3
Melting Point: 52 °C
Boiling Point: 302.7 °C at 760 mmHg
Flash Point: 129.3 °C
PSA: 17.07000
LogP: 4.64040
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Specification

This chemical is called Cyclotetradecan-1-one, and its systematic name is cyclotetradecanone. With the molecular formula of C14H26O, its molecular weight is 210.36. The CAS registry number of this chemical is 3603-99-4.

Other characteristics of the Cyclotetradecan-1-one can be summarised as followings: (1)ACD/LogP: 5.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.28; (4)ACD/LogD (pH 7.4): 5.28; (5)ACD/BCF (pH 5.5): 6026.52; (6)ACD/BCF (pH 7.4): 6026.52; (7)ACD/KOC (pH 5.5): 17675.15; (8)ACD/KOC (pH 7.4): 17675.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 64.69 cm3; (15)Molar Volume: 244.8 cm3; (16)Polarizability: 25.64×10-24cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 0.859 g/cm3; (19)Flash Point: 129.3 °C; (20)Enthalpy of Vaporization: 54.29 kJ/mol; (21)Boiling Point: 302.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000975 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C1CCCCCCCCCCCCC1
2.InChI: InChI=1/C14H26O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h1-13H2
3.InChIKey: FUGDHQXYVPQGLJ-UHFFFAOYAB