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

Name
DODECANE
EINECS 203-967-9
CAS No. 93685-81-5
Density 0.751 g/cm³
Solubility
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
Appearance clear liquid
Safety 62
Risk Codes 65
Molecular Structure
Hazard Symbols Xn
Synonyms N-Dodecan;Adakane 12;Dodecan;
PSA 0.00000
LogP 4.92720

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

Product Name

DODECANE

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

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