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Oxacyclohexadecane-2,13-dione

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Name

Oxacyclohexadecane-2,13-dione

EINECS 405-830-0
CAS No. 38223-29-9 Density 0.949 g/cm3
PSA 43.37000 LogP 3.79350
Solubility N/A Melting Point N/A
Formula C15H26O3 Boiling Point 426.9 °C at 760 mmHg
Molecular Weight 254.37 Flash Point 188.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 38223-29-9 (Oxacyclohexadecane-2,13-dione) Hazard Symbols N/A
Synonyms

Oxocyclohexadecan-2,-dion

 

Oxacyclohexadecane-2,13-dione Specification

The CAS registry number of 12-Ketopentadecanolide is 38223-29-9. The IUPAC name is oxacyclohexadecane-2,13-dione. In addition, the molecular formula is C15H26O3 and the molecular weight is 254.37. It should be stored in a cool and dry place.

Physical properties about 12-Ketopentadecanolide are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 137.8; (6)ACD/BCF (pH 7.4): 137.8; (7)ACD/KOC (pH 5.5): 1182.71; (8)ACD/KOC (pH 7.4): 1182.71; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.443; (14)Molar Refractivity: 71.04 cm3; (15)Molar Volume: 267.8 cm3; (16)Polarizability: 28.16×10-24cm3; (17)Surface Tension: 30.9 dyne/cm; (18)Density: 0.949 g/cm3; (19)Flash Point: 188.7 °C; (20)Enthalpy of Vaporization: 68.18 kJ/mol; (21)Boiling Point: 426.9 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCCCC(=O)CCCCCCCCCC1
(2)InChI: InChI=1/C15H26O3/c16-14-10-7-5-3-1-2-4-6-8-12-15(17)18-13-9-11-14/h1-13H2
(3)InChIKey: QFRZEGADDLNLLM-UHFFFAOYAQ

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