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1,1,1,3,3,3-Hexachloropropane

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Name

1,1,1,3,3,3-Hexachloropropane

EINECS
CAS No. 3607-78-1 Density 1.712 g/cm3
Solubility 3.200 mg/L at 25 °C Melting Point
Formula C3H2Cl6 Boiling Point 211.8 °C at 760 mmHg
Molecular Weight 250.77 Flash Point 80.1 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 3607-78-1 (1,1,1,3,3,3-Hexachloropropane) Hazard Symbols
Synonyms

Propane, 1,1,1,3,3,3-hexachloro-;

 

1,1,1,3,3,3-Hexachloropropane Specification

The 1,1,1,3,3,3-Hexachloropropane, with the CAS registry number 3607-78-1, is also known as Propane, 1,1,1,3,3,3-hexachloro-. This chemical's molecular formula is C3H2Cl6 and molecular weight is 250.77.

Physical properties of 1,1,1,3,3,3-Hexachloropropane are: (1)ACD/LogP: 5.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.5; (4)ACD/LogD (pH 7.4): 5.5; (5)ACD/BCF (pH 5.5): 8854.96; (6)ACD/BCF (pH 7.4): 8854.96; (7)ACD/KOC (pH 5.5): 23280.15; (8)ACD/KOC (pH 7.4): 23280.15; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 44.97 cm3; (15)Molar Volume: 146.4 cm3; (16)Polarizability: 17.82×10-24 cm3; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.712 g/cm3; (19)Flash Point: 80.1 °C; (20)Enthalpy of Vaporization: 42.98 kJ/mol; (21)Boiling Point: 211.8 °C at 760 mmHg; (22)Vapour Pressure: 0.261 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(Cl)(Cl)CC(Cl)(Cl)Cl
(2)InChI: InChI=1/C3H2Cl6/c4-2(5,6)1-3(7,8)9/h1H2
(3)InChIKey: BBEAZDGZMVABIC-UHFFFAOYAM

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