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1-Propanol,3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)- (2927-17-5)

Identification
Name:1-Propanol,3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)-
Synonyms:1-Propanol,2,2-bis(trifluoromethyl)- (7CI,8CI);2,2-Bis(trifluoromethyl)-1-propanol;
CAS:2927-17-5
Molecular Formula: C5H6F6O
Molecular Weight: 196.09
InChI: InChI=1/C5H6F6O/c1-3(2-12,4(6,7)8)5(9,10)11/h12H,2H2,1H3
Molecular Structure: (C5H6F6O) 1-Propanol,2,2-bis(trifluoromethyl)- (7CI,8CI);2,2-Bis(trifluoromethyl)-1-propanol;
Properties
Transport:1987
Melting Point: 35 °C
Density:1.386 g/cm3
Refractive index:1.314
Specification:

The 2,2-Bis(trifluoromethyl)propanol with its cas register number is 2927-17-5. It also can be called as 1-Propanol,3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)- and the Systematic name about this chemical is 3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propan-1-ol. This chemical is flammable, so in the using process, please keep away from sources of ignition.

Physical properties about 2,2-Bis(trifluoromethyl)propanol are: (1)ACD/LogP: 1.42; (2)ACD/LogD (pH 5.5): 1.42; (3)ACD/LogD (pH 7.4): 1.42; (4)ACD/BCF (pH 5.5): 7.09; (5)ACD/BCF (pH 7.4): 7.09; (6)ACD/KOC (pH 5.5): 141.39; (7)ACD/KOC (pH 7.4): 141.39; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.314; (13)Molar Refractivity: 27.62 cm3; (14)Molar Volume: 141.4 cm3; (15)Polarizability: 10.95x10-24cm3; (16)Surface Tension: 17.7 dyne/cm; (17)Enthalpy of Vaporization: 43.36 kJ/mol; (18)Vapour Pressure: 3.45 mmHg at 25°C

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(C)(C(F)(F)F)CO
(2)InChI: InChI=1/C5H6F6O/c1-3(2-12,4(6,7)8)5(9,10)11/h12H,2H2,1H3
(3)InChIKey: PDVIQMXPNJDUGQ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C5H6F6O/c1-3(2-12,4(6,7)8)5(9,10)11/h12H,2H2,1H3
(5)Std. InChIKey: PDVIQMXPNJDUGQ-UHFFFAOYSA-N

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