Basic information
- Name:
Undecane, 3-methyl-
- CAS No.:
1002-43-3
- Molecular Structure:
- Formula:
- C12H26
- Molecular Weight:
- 170.33
- Synonyms:
- 3-Methylundecane;
- Density:
- 0.75 g/cm3
- Boiling Point:
- 210.8 °C at 760 mmHg
- Flash Point:
- 61.8 °C
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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