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20395-24-8

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Basic Information
CAS No.: 20395-24-8
Name: 1,1-Dichlorooctane
Article Data: 1
Molecular Structure:
Molecular Structure of 20395-24-8 (1,1-Dichlorooctane)
Formula: C8H16Cl2
Molecular Weight: 183.121
Synonyms: Octane, 1,1-dichloro-;
Density: 0.996 g/cm3
Melting Point: 6.2°C (estimate)
Boiling Point: 212.5 °C at 760 mmHg
Flash Point: 78.8 °C
PSA: 0.00000
LogP: 4.15060
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Specification

The 1,1-Dichlorooctane, with the CAS registry number 20395-24-8, is also known as Octane, 1,1-dichloro-. This chemical's molecular formula is C8H16Cl2 and molecular weight is 183.1186. What's more, both its IUPAC name and systematic name are the same which is called 1,1-Dichlorooctane.

Physical properties about 1,1-Dichlorooctane are: (1) ACD/LogP: 4.72; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 4.72; (4) ACD/LogD (pH 7.4): 4.72; (5) ACD/BCF (pH 5.5): 2284.39; (6) ACD/BCF (pH 7.4): 2284.39; (7) ACD/KOC (pH 5.5): 8826.83; (8) ACD/KOC (pH 7.4): 8826.83; (9)#H bond acceptors: 0; (10) #H bond donors: 0 ; (11)#Freely Rotating Bonds: 6; (12) Polar Surface Area: 0 ?2 ; (13)Index of Refraction: 1.443; (14) Molar Refractivity: 48.76 cm3; (15) Molar Volume: 183.7 cm3; (16) Surface Tension: 28.5 dyne/cm; (17) Density: 0.996 g/cm3; (18) Flash Point: 78.8 °C; (19) Enthalpy of Vaporization: 43.05 kJ/mol; (20) Boiling Point: 212.5 °C at 760 mmHg; (21) Vapour Pressure: 0.251 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(Cl)CCCCCCC
(2) InChI: InChI=1/C8H16Cl2/c1-2-3-4-5-6-7-8(9)10/h8H,2-7H2,1H3
(3) InChIKey: OQYNFBPKTVQOKO-UHFFFAOYAX