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| CAS No.: | 657-35-2 |
|---|---|
| Name: | 1,1-difluoro-ethyl-benzene |
| Molecular Structure: | |
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| Formula: | C8H8F2 |
| Molecular Weight: | 142.148 |
| Synonyms: | 1,1-difluoro-ethyl-benzene;benzene, (1,1-difluoroethyl)-; |
| Density: | 1.061 g/cm3 |
| Boiling Point: | 146.978 °C at 760 mmHg |
| Flash Point: | 31.931 °C |
| PSA: | 0.00000 |
| LogP: | 2.79830 |
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Specification
The 1,1-Difluoroethylbenzene with the cas number 657-35-2 is also called benzene, (1,1-difluoroethyl)-. Its molecular formula is C8H8F2. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 101; (6)ACD/BCF (pH 7.4): 101; (7)ACD/KOC (pH 5.5): 948; (8)ACD/KOC (pH 7.4): 948; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.446; (14)Molar Refractivity: 35.702 cm3; (15)Molar Volume: 134.003 cm3; (16)Polarizability: 14.153×10-24cm3; (17)Surface Tension: 23.411 dyne/cm; (18)Enthalpy of Vaporization: 36.814 kJ/mol; (19)Vapour Pressure: 5.72 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C)c1ccccc1
(2)InChI: InChI=1/C8H8F2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3
(3)InChIKey: DWCFBWPLRGQFLN-UHFFFAOYAQ