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Basic Information
CAS No.: 558-45-2
Name: 1,1,1-Trifluoroethane-2-D1 (gas)
Molecular Structure:
Molecular Structure of 558-45-2 (1,1,1-Trifluoroethane-2-D1 (gas))
Formula: C2H2DF3
Molecular Weight: 85.04
Synonyms: 1,1,1-Trifluoro(2-2H1)ethane;1,1,1-Trifluoroethane-2-D1;
Density: 1.091 g/cm3
PSA: 0.00000
LogP: 1.56860
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Specification

The 1,1,1-Trifluoroethane-2-D1 (gas) with CAS registry number of 558-45-2 is also known as 1,1,1-Trifluoroethane-2-D1. The systematic name is 1,1,1-Trifluoro(2-2H1)ethane. In addition, the formula is C2H2DF3 and the molecular weight is 85.04.

Physical properties about 1,1,1-Trifluoroethane-2-D1 (gas) are: (1)ACD/LogP: 0.83; (2)ACD/LogD (pH 5.5): 0.83; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 2.53; (5)ACD/BCF (pH 7.4): 2.53; (6)ACD/KOC (pH 5.5): 67.67; (7)ACD/KOC (pH 7.4): 67.67; (8)Index of Refraction: 1.238; (9)Molar Refractivity: 11.77 cm3; (10)Molar Volume: 77.9 cm3; (11)Surface Tension: 9 dyne/cm; (12)Density: 1.091 g/cm3; (13)Enthalpy of Vaporization: 20.05 kJ/mol; (14)Vapour Pressure: 8450 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: [2H]CC(F)(F)F
2. InChI: InChI=1/C2H3F3/c1-2(3,4)5/h1H3/i1D
3. InChIKey: UJPMYEOUBPIPHQ-MICDWDOJEE
4. Std. InChI: InChI=1S/C2H3F3/c1-2(3,4)5/h1H3/i1D
5. Std. InChIKey: UJPMYEOUBPIPHQ-MICDWDOJSA-N