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65087-59-4

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Basic Information
CAS No.: 65087-59-4
Name: N-BUTYL-D9-BENZENE
Molecular Structure:
Molecular Structure of 65087-59-4 (N-BUTYL-D9-BENZENE)
Formula: C10H5D9
Molecular Weight: 143.27
Synonyms: n-Butyl-d9-benzene;
Density: 0.923 g/cm3
Boiling Point: 183.495 °C at 760 mmHg
Flash Point: 56.937 °C
PSA: 0.00000
LogP: 3.02920
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Specification

The Benzene, butyl-d9-, with the CAS registry number 65087-59-4, is also known as n-Butyl-d9-benzene. This chemical's molecular formula is C10H5D9 and molecular weight is 143.27. What's more, its systematic name is (2H9)Butylbenzene.

Physical properties about Benzene, butyl-d9- are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.248; (4)ACD/LogD (pH 7.4): 4.248; (5)ACD/BCF (pH 5.5): 996.855; (6)ACD/BCF (pH 7.4): 996.855; (7)ACD/KOC (pH 5.5): 4875.518; (8)ACD/KOC (pH 7.4): 4875.518; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 45.068 cm3; (15)Molar Volume: 155.264 cm3; (16)Polarizability: 17.866×10-24 cm3; (17)Surface Tension: 30.022 dyne/cm; (18)Density: 0.923 g/cm3; (19)Flash Point: 56.937 °C; (20)Enthalpy of Vaporization: 38.87 kJ/mol; (21)Boiling Point: 183.495 °C at 760 mmHg; (22)Vapour Pressure: 1.05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])c1ccccc1
(2) InChI: InChI=1/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3/i1D3,2D2,3D2,7D2
(3) InChIKey: OCKPCBLVNKHBMX-AZOWHCDPEJ