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CAS No.: | 13483-19-7 |
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Name: | 1,4-bis(chloromethoxy)butane |
Molecular Structure: | |
Formula: | C6H12Cl2O2 |
Molecular Weight: | 187.0643 |
Synonyms: | 1,4-bis(chloromethoxy)butane;Bis-1,4-(chloromethoxy)butane;Butane, 1,4-bis(chloromethoxy)- (8CI)(9CI); |
Density: | 1.147 g/cm3 |
Boiling Point: | 232.8 °C at 760 mmHg |
Flash Point: | 86.7 °C |
PSA: | 18.46000 |
LogP: | 2.19240 |
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The Butane, 1,4-bis (chloromethoxy)-, with the CAS registry number 13483-19-7, is also known as Bis-1,4-(chloromethoxy)butane and 1,4-Bis[(chloromethyl)oxy]butane. This chemical's molecular formula is C6H12Cl2O2 and molecular weight is 187.0643. What's more, both its IUPAC name and systematic name are the same which is called 1,4-Bis(chloromethoxy)butane.
Physical properties about Butane, 1,4-bis (chloromethoxy)- are: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.9; (6)ACD/BCF (pH 7.4): 2.9; (7)ACD/KOC (pH 5.5): 74.63; (8)ACD/KOC (pH 7.4): 74.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 43.03 cm3; (15)Molar Volume: 163 cm3; (16)Polarizability: 17.06×10-24 cm3; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 1.147 g/cm3; (19)Flash Point: 86.7 °C; (20)Enthalpy of Vaporization: 45.04 kJ/mol; (21)Boiling Point: 232.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0881 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: ClCOCCCCOCCl
(2) InChI: InChI=1/C6H12Cl2O2/c7-5-9-3-1-2-4-10-6-8/h1-6H2
(3) InChIKey: RRSXICBKOPODSP-UHFFFAOYAQ