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17312-44-6

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Basic Information
CAS No.: 17312-44-6
Name: 2,3-DIMETHYLDECANE
Article Data: 5
Molecular Structure:
Molecular Structure of 17312-44-6 (2,3-DIMETHYLDECANE)
Formula: C12H26
Molecular Weight: 170.338
Synonyms: 2,3-Dimethyldecane;
Density: 0.749 g/cm3
Melting Point: -50.8°C (estimate)
Boiling Point: 208 °C at 760 mmHg
Flash Point: 139.2 °C
Hazard Symbols: IrritantXi,FlammableF
Risk Codes:  Xi,F:;
">  Xi,F:;
PSA: 0.00000
LogP: 4.63900
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Specification

The Decane, 2,3-dimethyl- is an organic compound with the formula C12H26. With the CAS registry number 17312-44-6, the IUPAC name of this chemical is 2,3-dimethyldecane.

Physical properties about Decane, 2,3-dimethyl- are: (1)ACD/LogP: 6.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.76; (4)ACD/LogD (pH 7.4): 6.76; (5)ACD/BCF (pH 5.5): 81369.02; (6)ACD/BCF (pH 7.4): 81369.02; (7)ACD/KOC (pH 5.5): 113890.27; (8)ACD/KOC (pH 7.4): 113890.27; (9)#Freely Rotating Bonds: 7; (10)Index of Refraction: 1.42; (11)Molar Refractivity: 57.56 cm3; (12)Molar Volume: 227.3 cm3; (13)Polarizability: 22.81×10-24cm3; (14)Surface Tension: 24.2 dyne/cm; (15)Density: 0.749 g/cm3; (16)Flash Point: 139.2 °C; (17)Enthalpy of Vaporization: 42.61 kJ/mol; (18)Boiling Point: 208 °C at 760 mmHg; (19)Vapour Pressure: 0.315 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(CCCCCC(C(C)C)C)C
(2)InChI: InChI=1/C12H26/c1-5-6-7-8-9-10-12(4)11(2)3/h11-12H,5-10H2,1-4H3
(3)InChIKey: ZCTGYLNFWOQVHV-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C12H26/c1-5-6-7-8-9-10-12(4)11(2)3/h11-12H,5-10H2,1-4H3
(5)Std. InChIKey: ZCTGYLNFWOQVHV-UHFFFAOYSA-N