1,3-Dioxacyclotridecan-2-one supplier

Name
1,3-Dioxacyclotridecan-2-one
EINECS 268-024-6
CAS No. 67990-00-5
Density 0.957g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀O₃
Boiling Point 347.5 °C at 760 mmHg
Molecular Weight 200.278
Flash Point 138.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-dioxacyclotridecan-2-one;Einecs 268-024-6
PSA 35.53000
LogP 3.27400

1,3-Dioxacyclotridecan-2-one Specification

The 1,3-Dioxacyclotridecan-2-one, with CAS registry number 67990-00-5, has the systematic name of 1,3-dioxacyclotridecan-2-one. Its molecular weight is 200.2747. And the chemical formula of this chemical is C₁₁H₂₀O₃. What's more, its EINECS is 268-024-6.

Physical properties of 1,3-Dioxacyclotridecan-2-one: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.14; (4)ACD/LogD (pH 7.4): 3.14; (5)ACD/BCF (pH 5.5): 144.06; (6)ACD/BCF (pH 7.4): 144.06; (7)ACD/KOC (pH 5.5): 1220.92; (8)ACD/KOC (pH 7.4): 1220.92; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.43; (14)Molar Refractivity: 54.07 cm³; (15)Molar Volume: 209.2 cm³; (16)Polarizability: 21.43×10^-24cm³; (17)Surface Tension: 29.3 dyne/cm; (18)Density: 0.957 g/cm³; (19)Flash Point: 138.5 °C; (20)Enthalpy of Vaporization: 59.18 kJ/mol; (21)Boiling Point: 347.5 °C at 760 mmHg; (22)Vapour Pressure: 5.34E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCCCCCCCCCCO1
(2)InChI: InChI=1/C11H20O3/c12-11-13-9-7-5-3-1-2-4-6-8-10-14-11/h1-10H2
(3)InChIKey: BNKAOFCGRFIIHY-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C11H20O3/c12-11-13-9-7-5-3-1-2-4-6-8-10-14-11/h1-10H2
(5)Std. InChIKey: BNKAOFCGRFIIHY-UHFFFAOYSA-N

Product Name

1,3-Dioxacyclotridecan-2-one

1,3-Dioxacyclotridecan-2-one Specification

Related Products

Hot Products