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CAS No.: | 777-95-7 |
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Name: | 1,6-Dioxacyclododecane-7,12-dione |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H16O4 |
Molecular Weight: | 200.235 |
Synonyms: | Adipic acid,cyclic tetramethyleneester (7CI); |
EINECS: | 212-291-3 |
Density: | 1.065 g/cm3 |
Boiling Point: | 422.3 °C at 760 mmHg |
Flash Point: | 223.3 °C |
PSA: | 52.60000 |
LogP: | 1.42700 |
Conditions | Yield |
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dibutyltin(II) dilaurate Multistep reaction; |
Conditions | Yield |
---|---|
dibutyltin(II) dilaurate Multistep reaction; |
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The IUPAC name of this chemical is 1,6-Dioxacyclododecane-7,12-dione. With the CAS registry number 777-95-7 and EINECS registry number 212-291-3, it is also named as Adipic acid,cyclic tetramethyleneester (7Cl). In addition, the molecular formula is C10H16O4 and the molecular weight is 200.2316. It should be stored in a cool and dry place.
Physical properties about 1,6-Dioxacyclododecane-7,12-dione are: (1)ACD/LogP: -0.06; (2)ACD/LogD (pH 5.5): -0.06; (3)ACD/LogD (pH 7.4): -0.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 22.07; (7)ACD/KOC (pH 7.4): 22.07; (8)#H bond acceptors: 4; (9)Polar Surface Area: 52.6 Å2; (10)Index of Refraction: 1.44; (11)Molar Refractivity: 49.58 cm3; (12)Molar Volume: 187.9 cm3; (13)Polarizability: 19.65 ×10-24cm3; (14)Surface Tension: 33.4 dyne/cm; (15)Density: 1.065 g/cm3; (16)Flash Point: 223.3 °C; (17)Enthalpy of Vaporization: 67.64 kJ/mol; (18)Boiling Point: 422.3 °C at 760 mmHg; (19)Vapour Pressure: 2.44E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1OCCCCOC(=O)CCCC1
(2)InChI: InChI=1/C10H16O4/c11-9-5-1-2-6-10(12)14-8-4-3-7-13-9/h1-8H2
(3)InChIKey: AXKZIDYFAMKWSA-UHFFFAOYAL