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57367-97-2

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Basic Information
CAS No.: 57367-97-2
Name: N-DECYL-1,1,2,2-D4 ALCOHOL
Molecular Structure:
Molecular Structure of 57367-97-2 (N-DECYL-1,1,2,2-D4 ALCOHOL)
Formula: C10H18D4O
Molecular Weight: 162.252
Synonyms: N-DECYL-1,1,2,2-D4 ALCOHOL;n-Decyl--d4 Alcohol
Density: 0.849 g/cm3
Boiling Point: 227.781 °C at 760 mmHg
Flash Point: 101.715 °C
PSA: 20.23000
LogP: 3.11940
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Specification

This chemical is called 1-Decan-1,1,2,2-d4-ol, and its systematic name is (1,1,2,2-2H4)Decan-1-ol. With the molecular formula of C10H18D4O, its molecular weight is 162.31. The CAS registry number of this chemical is 57367-97-2.

Other characteristics of the 1-Decan-1,1,2,2-d4-ol can be summarised as followings: (1)ACD/LogP: 3.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.895; (4)ACD/LogD (pH 7.4): 3.895; (5)ACD/BCF (pH 5.5): 537.714; (6)ACD/BCF (pH 7.4): 537.714; (7)ACD/KOC (pH 5.5): 3134.234; (8)ACD/KOC (pH 7.4): 3134.234; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.435; (14)Molar Refractivity: 49.912 cm3; (15)Molar Volume: 191.109 cm3; (16)Polarizability: 19.787×10-24cm3; (17)Surface Tension: 29.858 dyne/cm; (18)Density: 0.849 g/cm3; (19)Flash Point: 101.715 °C; (20)Enthalpy of Vaporization: 53.986 kJ/mol; (21)Boiling Point: 227.781 °C at 760 mmHg; (22)Vapour Pressure: 0.015 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: [2H]C([2H])(CCCCCCCC)C([2H])([2H])O
2.InChI: InChI=1/C10H22O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-10H2,1H3/i9D2,10D2
3.InChIKey: MWKFXSUHUHTGQN-YQUBHJMPEB