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Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated

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Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated

EINECS 203-967-9
CAS No. 93685-81-5 Density 0.751 g/cm3
PSA 0.00000 LogP 4.92720
Solubility N/A Melting Point ?9.6 °C(lit.)
Formula C12H26 Boiling Point 216.1 °C at 760 mmHg
Molecular Weight 170.33 Flash Point 71.1 °C
Transport Information N/A Appearance clear liquid
Safety 62 Risk Codes 65
Molecular Structure Molecular Structure of 93685-81-5 (DODECANE) Hazard Symbols HarmfulXn
Synonyms

N-Dodecan;Adakane 12;Dodecan;

 

Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated Specification

The Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated, with the CAS registry number 93685-81-5 and EINECS registry number 203-967-9, is also called Adakane 12. It is a kind of clear liquid, and may cause lung damage if swallowed. Therefore, if swallowed, you should not induce vomiting, but to seek medical advice immediately and show this container or label. And molecular formula of the chemical is C12H26.

The characteristics of Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated are as followings: (1)ACD/LogP: 7.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.13; (4)ACD/LogD (pH 7.4): 7.13; (5)ACD/BCF (pH 5.5): 154908.05; (6)ACD/BCF (pH 7.4): 154908.05; (7)ACD/KOC (pH 5.5): 180564.28; (8)ACD/KOC (pH 7.4): 180564.28; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 57.64 cm3; (15)Molar Volume: 226.6 cm3; (16)Polarizability: 22.85×10-24cm3; (17)Surface Tension: 25.5 dyne/cm; (18)Density: 0.751 g/cm3; (19)Flash Point: 71.1 °C; (20)Enthalpy of Vaporization: 43.4 kJ/mol; (21)Boiling Point: 216.1 °C at 760 mmHg; (22)Vapour Pressure: 0.209 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C(CCCCCCCC)CCC
(2)InChI: InChI=1/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
(3)InChIKey: SNRUBQQJIBEYMU-UHFFFAOYAS

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