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811-94-9

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Basic Information
CAS No.: 811-94-9
Name: 1,2,2-TRIFLUOROPROPANE
Article Data: 2
Molecular Structure:
Molecular Structure of 811-94-9 (1,2,2-TRIFLUOROPROPANE)
Formula: C3H5F3
Molecular Weight: 98.0679
Synonyms: 1,2,2-Trifluoropropane;HFC 263ca;
Density: 1.038 g/cm3
Melting Point: -148.8°C (estimate)
Boiling Point: 16.6 °C at 760 mmHg
PSA: 0.00000
LogP: 1.61110
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Specification

The Propane,1,2,2-trifluoro- has the CAS registry number 811-94-9. This chemical's molecular formula is C3H5F3 and molecular weight is 98.07. What's more, its systematic name is 1,2,2-trifluoropropane. 

Physical properties of Propane,1,2,2-trifluoro- are: (1)ACD/LogP: 0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/BCF (pH 5.5): 2.01; (5)ACD/KOC (pH 5.5): 57.37; (6)#Freely Rotating Bonds: 1; (7)Index of Refraction: 1.276; (8)Molar Refractivity: 16.4 cm3; (9)Molar Volume: 94.4 cm3; (10)Polarizability: 6.5×10-24cm3; (11)Surface Tension: 11.8 dyne/cm; (12)Density: 1.038 g/cm3; (13)Enthalpy of Vaporization: 25.29 kJ/mol; (14)Boiling Point: 16.6 °C at 760 mmHg; (15)Vapour Pressure: 1020 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(F)(F)CF
(2)InChI: InChI=1S/C3H5F3/c1-3(5,6)2-4/h2H2,1H3
(3)InChIKey: DONSGGANNRCHDL-UHFFFAOYSA-N