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16435-49-7

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Basic Information
CAS No.: 16435-49-7
Name: 2-METHYL-1-DODECENE
Article Data: 17
Molecular Structure:
Molecular Structure of 16435-49-7 (2-METHYL-1-DODECENE)
Formula: C13H26
Molecular Weight: 182.35
Synonyms: 2-Methyl-1-dodecene;2-methyl-dodec-1-ene;
Density: 0.766 g/cm3
Melting Point: -31.21°C
Boiling Point: 229.7 °C at 760 mmHg
Flash Point: 86.2 °C
Hazard Symbols: FlammableF
Risk Codes:  F:;
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PSA: 0.00000
LogP: 5.09330
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Specification

The CAS register number of 1-Dodecene, 2-methyl- is 16435-49-7. It also can be called as 2-Methyl-1-dodecene and the systematic name about this chemical is 2-methyldodec-1-ene. The molecular formula about this chemical is C13H26 and the molecular weight is 182.35. This chemical may catch fire if in contact with air, only needing brief contact with an ignition source, and it has a very low flash point or evolve highly flammable gases in contact with water.

Physical properties about 1-Dodecene, 2-methyl- are: (1)ACD/LogP: 7.17; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.17; (4)ACD/LogD (pH 7.4): 7.17; (5)ACD/BCF (pH 5.5): 166785.92; (6)ACD/BCF (pH 7.4): 166785.92; (7)ACD/KOC (pH 5.5): 190369.88; (8)ACD/KOC (pH 7.4): 190369.88; (9)#Freely Rotating Bonds: 9; (10)Index of Refraction: 1.432; (11)Molar Refractivity: 61.84 cm3; (12)Molar Volume: 238 cm3; (13)Polarizability: 24.51x10-24cm3; (14)Surface Tension: 25.4 dyne/cm; (15)Density: 0.766 g/cm3; (16)Flash Point: 86.2 °C; (17)Enthalpy of Vaporization: 44.74 kJ/mol; (18)Boiling Point: 229.7 °C at 760 mmHg; (19)Vapour Pressure: 0.104 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: C=C(/C)CCCCCCCCCC
(2)InChI: InChI=1/C13H26/c1-4-5-6-7-8-9-10-11-12-13(2)3/h2,4-12H2,1,3H3
(3)InChIKey: PWRBDKMPAZFCSV-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H26/c1-4-5-6-7-8-9-10-11-12-13(2)3/h2,4-12H2,1,3H3
(5)Std. InChIKey: PWRBDKMPAZFCSV-UHFFFAOYSA-N