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Basic Information
CAS No.: 35438-57-4
Name: 1,5-Dioxepan-2-one
Article Data: 4
Molecular Structure:
Molecular Structure of 35438-57-4 (1,5-Dioxepan-2-one)
Formula: C5H8O3
Molecular Weight: 116.117
Synonyms: Propionicacid, 3-(2-hydroxyethoxy)-, e-lactone (6CI);
Density: 1.129g/cm3
Melting Point: 36 °C
Boiling Point: 266.8°C at 760mmHg
Flash Point: 106.2°C
PSA: 35.53000
LogP: -0.05010
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Specification

The 1,5-Dioxepan-2-one, with CAS registry number 35438-57-4, has the systematic name of 1,4-dioxepan-5-one. And its IUPAC name is also 1,4-dioxepan-5-one.

Physical properties about this chemical are: (1)ACD/LogP: -1.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.427; (8)Molar Refractivity: 26.39 cm3; (9)Molar Volume: 102.7 cm3; (10)Polarizability: 10.46×10-24cm3; (11)Surface Tension: 33 dyne/cm; (12)Enthalpy of Vaporization: 50.48 kJ/mol; (13)Vapour Pressure: 0.00845 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C1OCCOCC1
(2)InChI: InChI=1/C5H8O3/c6-5-1-2-7-3-4-8-5/h1-4H2
(3)InChIKey: AOLNDUQWRUPYGE-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H8O3/c6-5-1-2-7-3-4-8-5/h1-4H2
(5)Std. InChIKey: AOLNDUQWRUPYGE-UHFFFAOYSA-N