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CAS No.: | 7283-44-5 |
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Name: | vinylidene diacetate |
Molecular Structure: | |
Formula: | C6H8O4 |
Molecular Weight: | 144.127 |
Synonyms: | 1,1-Ethenediol,diacetate (7CI,8CI,9CI);1,1-Diacetoxyethylene;Vinylidene diacetate;Vinylidene diacetate; |
EINECS: | 230-704-5 |
Density: | 1.113g/cm3 |
Boiling Point: | 176.8 °C at 760 mmHg |
Flash Point: | 81 °C |
PSA: | 52.60000 |
LogP: | 0.58380 |
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The CAS registry number of 1,1-Ethenediol,1,1-diacetate is 7283-44-5. The IUPAC name is 1-acetyloxyethenyl acetate. Its EINECS registry number is 230-704-5. In addition, the molecular formula is C6H8O4 and the molecular weight is 144.125. It should be stored in a cool and dry place.
Physical properties about 1,1-Ethenediol,1,1-diacetate are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.96; (6)ACD/BCF (pH 7.4): 2.96; (7)ACD/KOC (pH 5.5): 75.68; (8)ACD/KOC (pH 7.4): 75.68; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 32.96 cm3; (15)Molar Volume: 129.4 cm3; (16)Polarizability: 13.06 ×10-24cm3; (17)Surface Tension: 31 dyne/cm; (18)Density: 1.113 g/cm3; (19)Flash Point: 81 °C; (20)Enthalpy of Vaporization: 41.31 kJ/mol; (21)Boiling Point: 176.8 °C at 760 mmHg; (22)Vapour Pressure: 1.07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O\C(OC(=O)C)=C)C
(2)InChI: InChI=1/C6H8O4/c1-4(7)9-6(3)10-5(2)8/h3H2,1-2H3
(3)InChIKey: JNBLCHLVUYMNLH-UHFFFAOYAR