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1-Dodecene, 2-methyl-

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Name

1-Dodecene, 2-methyl-

EINECS N/A
CAS No. 16435-49-7 Density 0.766 g/cm3
PSA 0.00000 LogP 5.09330
Solubility N/A Melting Point -31.21°C
Formula C13H26 Boiling Point 229.7 °C at 760 mmHg
Molecular Weight 182.35 Flash Point 86.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  F:;
Molecular Structure Molecular Structure of 16435-49-7 (2-METHYL-1-DODECENE) Hazard Symbols FlammableF
Synonyms

2-Methyl-1-dodecene;2-methyl-dodec-1-ene;

Article Data 17

1-Dodecene, 2-methyl- 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

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