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CAS No.: | 79055-39-3 |
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Name: | 1,1,1,4,4,4-Hexafluoro-2,3-butanediol |
Molecular Structure: | |
Formula: | C4H4F6O2 |
Molecular Weight: | 198.01 |
Synonyms: | 1,1,1,4,4,4-Hexafluoro-2,3-butanediol; |
EINECS: | 1312995-182-4 |
Density: | 1.609 g/cm3 |
Melting Point: | 57-59℃ |
Boiling Point: | 310.869 °C at 760 mmHg |
Flash Point: | 141.809 °C |
PSA: | 40.46000 |
LogP: | 0.83280 |
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The 1, 1, 1, 4, 4, 4-Hexafluorobutane-2, 3-diol has CAS registry number 79055-39-3. This chemical's molecular formula is C4H4F6O2 and molecular weight is 198.01. What's more, its systematic name is 1, 1, 1, 4, 4, 4-Hexafluorobutane-2, 3-diol.
Physical properties about 1, 1, 1, 4, 4, 4-Hexafluorobutane-2, 3-diol are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 40.46 Å2; (7)Index of Refraction: 1.321; (8)Molar Refractivity: 24.481 cm3; (9)Molar Volume: 123.11 cm3; (10)Polarizability: 9.705×10-24 cm3; (11)Surface Tension: 22.043 dyne/cm; (12)Density: 1.609 g/cm3; (13)Flash Point: 141.809 °C; (14)Enthalpy of Vaporization: 63.976 kJ/mol; (15)Boiling Point: 310.869 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)C(O)C(O)C(F)(F)F
(2) InChI: InChI=1S/C4H4F6O2/c5-3(6,7)1(11)2(12)4(8,9)10/h1-2,11-12H
(3) InChIKey: UZQRURWDAXNSCX-UHFFFAOYSA-N