Basic information
- Name:
Hydrocarbons, C4,1,3-butadiene-free, polymd., triisobutylene fraction, hydrogenated
- CAS No.:
93685-81-5
- Molecular Structure:
- Formula:
- C12H26
- Molecular Weight:
- 170.33
- Synonyms:
- N-Dodecan;Adakane 12;Dodecan;
- Density:
- 0.751 g/cm3
- Melting Point:
- ?9.6 °C(lit.)
- Boiling Point:
- 216.1 °C at 760 mmHg
- Flash Point:
- 71.1 °C
- Hazard Symbols:
Xn- Risk Codes:
- 65
- Safety Description:
- 62 Details
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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