Cyclotridecanone,3-methyl- supplier

Name
3-methylcyclotridecan-1-one
EINECS 262-772-7
CAS No. 61415-11-0
Article Data6
CAS DataBase
Density 0.851 g/cm³
Solubility
Melting Point
Formula C₁₄H₂₆O
Boiling Point 296.8 °C at 760 mmHg
Molecular Weight 210.36
Flash Point 125.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methylcyclotridecanone;
PSA 17.07000
LogP 4.49630

Cyclotridecanone,3-methyl- Specification

The Cyclotridecanone,3-methyl- is an organic compound with the formula C₁₄H₂₆O. The IUPAC name of this chemical is 3-methylcyclotridecan-1-one. With the CAS registry number 61415-11-0, it is also named as 3-methylcyclotridecan-1-one.

Physical properties about Cyclotridecanone,3-methyl- are: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.2; (4)ACD/LogD (pH 7.4): 5.2; (5)ACD/BCF (pH 5.5): 5311.17; (6)ACD/BCF (pH 7.4): 5311.17; (7)ACD/KOC (pH 5.5): 16146.69; (8)ACD/KOC (pH 7.4): 16146.69; (9)#H bond acceptors: 1; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.437; (12)Molar Refractivity: 64.79 cm³; (13)Molar Volume: 247.1 cm³; (14)Polarizability: 25.68×10^-24cm³; (15)Surface Tension: 27.2 dyne/cm; (16)Density: 0.851 g/cm³; (17)Flash Point: 125.7 °C; (18)Enthalpy of Vaporization: 53.67 kJ/mol; (19)Boiling Point: 296.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0014 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC(CCCCCCCCCC1)C
(2)InChI: InChI=1/C14H26O/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)12-13/h13H,2-12H2,1H3
(3)InChIKey: CVMWCRDXSQGRSJ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H26O/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)12-13/h13H,2-12H2,1H3
(5)Std. InChIKey: CVMWCRDXSQGRSJ-UHFFFAOYSA-N

Product Name

3-methylcyclotridecan-1-one

Cyclotridecanone,3-methyl- Specification

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