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1002-43-3

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Basic Information
CAS No.: 1002-43-3
Name: 3-METHYLUNDECANE
Article Data: 4
Molecular Structure:
Molecular Structure of 1002-43-3 (3-METHYLUNDECANE)
Formula: C12H26
Molecular Weight: 170.338
Synonyms: 3-Methylundecane;
Density: 0.75 g/cm3
Melting Point: -58°C
Boiling Point: 210.8 °C at 760 mmHg
Flash Point: 61.8 °C
PSA: 0.00000
LogP: 4.78310
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Specification

The Undecane, 3-methyl- is an organic compound with the formula C12H26. The IUPAC name of this chemical is 3-Methylundecane. The CAS registry number of this chemical is 1002-43-3. Besides, its molecular weight is 170.33.

Physical properties about Undecane, 3-methyl- are: (1)ACD/LogP: 6.95; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.95; (4)ACD/LogD (pH 7.4): 6.95; (5)#Freely Rotating Bonds: 8; (6)Index of Refraction: 1.421; (7)Molar Refractivity: 57.6 cm3; (8)Molar Volume: 226.9 cm3; (9)Polarizability: 22.83×10-24 cm3; (10)Surface Tension: 24.8 dyne/cm; (11)Density: 0.75 g/cm3; (12)Flash Point: 61.8 °C; (13)Enthalpy of Vaporization: 42.88 kJ/mol; (14)Boiling Point: 210.8 °C at 760 mmHg; (15)Vapour Pressure: 0.274 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C12H26/c1-4-6-7-8-9-10-11-12(3)5-2/h12H,4-11H2,1-3H3/t12-/m0/s1
(2)InChIKey: HTZWVZNRDDOFEI-LBPRGKRZBI
(3)Std. InChI: InChI=1S/C12H26/c1-4-6-7-8-9-10-11-12(3)5-2/h12H,4-11H2,1-3H3
(4)Std. InChIKey: HTZWVZNRDDOFEI-UHFFFAOYSA-N