Coronene, 1-methyl- supplier | CasNO.13119-86-3

Name
1-METHYLCORONENE
EINECS
CAS No. 13119-86-3
Article Data2
CAS DataBase
Density 1.422 g/cm³
Solubility
Melting Point
Formula C₂₅H₁₄
Boiling Point 536.1 °C at 760 mmHg
Molecular Weight 314.386
Flash Point 272.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Coronene,methyl- (9CI);1-Methylcoronene;Methylcoronene;
PSA 0.00000
LogP 7.22760

Coronene, 1-methyl- Specification

The Coronene, 1-methyl-, with the CAS registry number 13119-86-3, is also known as Methylcoronene. This chemical's molecular formula is C₂₅H₁₄ and molecular weight is 314.37866. Its IUPAC name is called 1-methylcoronene.

Physical properties of Coronene, 1-methyl-: (1)ACD/LogP: 7.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.84; (4)ACD/LogD (pH 7.4): 7.84; (5)ACD/BCF (pH 5.5): 539065.19; (6)ACD/BCF (pH 7.4): 539065.19; (7)ACD/KOC (pH 5.5): 440838.94; (8)ACD/KOC (pH 7.4): 440838.94; (9)Index of Refraction: 2.079; (10)Molar Refractivity: 116.18 cm³; (11)Molar Volume: 220.9 cm³; (12)Surface Tension: 79.8 dyne/cm; (13)Density: 1.422 g/cm³; (14)Flash Point: 272.5 °C; (15)Enthalpy of Vaporization: 78.22 kJ/mol; (16)Boiling Point: 536.1 °C at 760 mmHg; (17)Vapour Pressure: 5.04E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C=CC3=C4C2=C5C(=C1)C=CC6=C5C7=C(C=CC(=C74)C=C3)C=C6
(2)InChI: InChI=1S/C25H14/c1-13-12-18-9-8-16-5-3-14-2-4-15-6-7-17-10-11-19(13)25-23(17)21(15)20(14)22(16)24(18)25/h2-12H,1H3
(3)InChIKey: NYAQPDBIWGCXLE-UHFFFAOYSA-N

Product Name

1-METHYLCORONENE

Coronene, 1-methyl- Specification

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