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| CAS No.: | 131328-27-3 |
|---|---|
| Name: | Ethanone, 1-[(2S)-tetrahydro-2-furanyl]- (9CI) |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H10O2 |
| Molecular Weight: | 114.1424 |
| Synonyms: | 1-(3,5-difluorophenyl)ethanone |
| Density: | 1.028 g/cm3 |
| Boiling Point: | 174.5 °C at 760 mmHg |
| Flash Point: | 63.2 °C |
| Appearance: | colorless transparent liquid or white solid |
| PSA: | 26.30000 |
| LogP: | 0.75440 |
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Specification
The 1-[(2S)-Tetrahydro-2-furanyl]ethanone, with the CAS registry number 131328-27-3, belongs to the product category of Acetylgroup. This chemical's molecular formula is C6H10O2 and molecular weight is 114.14. Its systematic name is called 1-[(2S)-tetrahydrofuran-2-yl]ethanone.
Physical properties of 1-[(2S)-Tetrahydro-2-furanyl]ethanone: (1)ACD/LogP: -0.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): -0.31; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.23; (8)ACD/KOC (pH 7.4): 16.23; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.44; (13)Molar Refractivity: 29.25 cm3; (14)Molar Volume: 111 cm3; (15)Surface Tension: 32 dyne/cm; (16)Density: 1.028 g/cm3; (17)Flash Point: 63.2 °C; (18)Enthalpy of Vaporization: 41.08 kJ/mol; (19)Boiling Point: 174.5 °C at 760 mmHg; (20)Vapour Pressure: 1.2 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)[C@H]1OCCC1
(2)InChI: InChI=1/C6H10O2/c1-5(7)6-3-2-4-8-6/h6H,2-4H2,1H3/t6-/m0/s1
(3)InChIKey: KWBQKUZVJVKXHI-LURJTMIEBR