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| CAS No.: | 1535-91-7 |
|---|---|
| Name: | 1,2-EPOXY-3-(2,2,2-TRIFLUOROETHOXY)-PROPANE |
| Molecular Structure: | |
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| Formula: | C5H7F3O2 |
| Molecular Weight: | 156.1 |
| Synonyms: | Oxirane,[(2,2,2-trifluoroethoxy)methyl]- (9CI);Propane,1,2-epoxy-3-(2,2,2-trifluoroethoxy)- (6CI,8CI);2-[(2,2,2-Trifluoroethoxy)methyl]oxirane;1,2-Epoxy-3-(2,2,2-trifluoroethoxy)-propane; |
| Density: | 1.288 g/cm3 |
| Boiling Point: | 132.7 °C at 760 mmHg |
| Flash Point: | 39.8 °C |
| PSA: | 21.76000 |
| LogP: | 0.96410 |
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Specification
The Oxirane,2-[(2,2,2-trifluoroethoxy)methyl]-, with the CAS registry number 1535-91-7, is also known as 1,2-Epoxy-3-(2,2,2-trifluoroethoxy)-propane. This chemical's molecular formula is C5H7F3O2 and molecular weight is 156.1. What's more, its systematic name is 2-[(2,2,2-Trifluoroethoxy)methyl]oxirane.
Physical properties of Oxirane,2-[(2,2,2-trifluoroethoxy)methyl]- are: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 1.23; (5)ACD/BCF (pH 5.5): 5.06; (6)ACD/BCF (pH 7.4): 5.06; (7)ACD/KOC (pH 5.5): 111.08; (8)ACD/KOC (pH 7.4): 111.08; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.76 Å2; (13)Index of Refraction: 1.363; (14)Molar Refractivity: 26.99 cm3; (15)Molar Volume: 121.1 cm3; (16)Polarizability: 10.69×10-24 cm3; (17)Surface Tension: 25.3 dyne/cm; (18)Density: 1.288 g/cm3; (19)Flash Point: 39.8 °C; (20)Enthalpy of Vaporization: 35.49 kJ/mol; (21)Boiling Point: 132.7 °C at 760 mmHg; (22)Vapour Pressure: 10.8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)COCC1OC1
(2)InChI: InChI=1/C5H7F3O2/c6-5(7,8)3-9-1-4-2-10-4/h4H,1-3H2
(3)InChIKey: BOORGFXBMIIZHP-UHFFFAOYSA-N