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22966-70-7

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Basic Information
CAS No.: 22966-70-7
Name: (E)-2,5-dichloro-2,5-dimethyl-hex-3-ene
Molecular Structure:
Molecular Structure of 22966-70-7 ((E)-2,5-dichloro-2,5-dimethyl-hex-3-ene)
Formula: C8H14Cl2
Molecular Weight: 181.105
Synonyms: trans-2, 5-Dichloror-2, 5-dimethyl-3-hexene;
Density: 1.022 g/cm3
Boiling Point: 208.2 °C at 760 mmHg
Flash Point: 87.4 °C
PSA: 0.00000
LogP: 3.57740
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Specification

The (E)-2, 5-Dichloro-2, 5-dimethyl-hex-3-ene has CAS registry number 22966-70-7. This chemical's molecular formula is C8H14Cl2 and molecular weight is 181.102760. What's more, its systematic name is (3E)-2, 5-Dichloro-2, 5-dimethylhex-3-ene.

Physical properties about (E)-2, 5-Dichloro-2, 5-dimethyl-hex-3-ene are: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 0; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 0 Å2; (7)Index of Refraction: 1.463; (8)Molar Refractivity: 48.79 cm3; (9)Molar Volume: 177 cm3; (10)Polarizability: 19.34×10-24 cm3; (11)Surface Tension: 27.2 dyne/cm; (12)Density: 1.022 g/cm3; (13)Flash Point: 87.4 °C; (14)Enthalpy of Vaporization: 42.63 kJ/mol; (15)Boiling Point: 208.2 °C at 760 mmHg; (16)Vapour Pressure: 0.312 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ClC(/C=C/C(Cl)(C)C)(C)C
(2) InChI: InChI=1/C8H14Cl2/c1-7(2,9)5-6-8(3,4)10/h5-6H,1-4H3/b6-5+
(3) InChIKey: ANSLDRRWTXDPKO-AATRIKPKBG