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1-Butene-1,1-d2

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Name

1-Butene-1,1-d2

EINECS
CAS No. 26119-76-6 Density 0.648 g/cm3
Solubility Melting Point
Formula C4H6D2 Boiling Point
Molecular Weight 58.12 Flash Point
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 26119-76-6 (1-Butene-1,1-d<sub>2</sub>) Hazard Symbols
Synonyms

1-BUTENE-1,1-D2;1-Butene-1,1-D2 (gas);1-Butene-d2

 

1-Butene-1,1-d2 Specification

This chemical is called 1-Butene-1,1-d2, and its systematic name is (1,1-2H2)But-1-ene. With the molecular formula of C4H6D2, its molecular weight is 58.12. The CAS registry number of this chemical is 26119-76-6.

Other characteristics of the 1-Butene-1,1-d2 can be summarised as followings: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.337; (4)ACD/LogD (pH 7.4): 2.337; (5)ACD/BCF (pH 5.5): 35.149; (6)ACD/BCF (pH 7.4): 35.149; (7)ACD/KOC (pH 5.5): 444.817; (8)ACD/KOC (pH 7.4): 444.817; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.371; (13)Molar Refractivity: 20.306 cm3; (14)Molar Volume: 89.656 cm3; (15)Polarizability: 8.05×10-24cm3; (16)Surface Tension: 16.354 dyne/cm; (17)Density: 0.648 g/cm3; (18)Flash Point: °C; (19)Enthalpy of Vaporization: 22.07 kJ/mol; (20)Boiling Point: °C at 760 mmHg; (21)Vapour Pressure: 2213.905 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [2H]C(=CCC)[2H]
2.InChI: InChI=1/C4H8/c1-3-4-2/h3H,1,4H2,2H3/i1D2
3.InChIKey: VXNZUUAINFGPBY-DICFDUPAET

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