| Identification | |
| Name: | Ethanone,1-(tetrahydro-2H-pyran-4-yl)- |
| Synonyms: | 1-(Tetrahydro-2H-pyran-4-yl)ethanone;4-Acetyltetrahydropyran;1-tetrahydropyran-4-ylethanone; |
| CAS: | 137052-08-5 |
| Molecular Formula: | C7H12O2 |
| Molecular Weight: | 128.17 |
| InChI: | InChI=1/C7H12O2/c1-6(8)7-2-4-9-5-3-7/h7H,2-5H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 0.996 g/cm3 |
| Refractive index: | 1.439 |
| Specification: |
The 1-(Tetrahydro-2H-pyran-4-yl)ethanone, with the CAS registry number 137052-08-5, has the systematic name of 1-tetrahydropyran-4-ylethanone. It belongs to the product category of Acetyl group. And the molecular formula of the chemical is C7H12O2. The characteristics of this chemical are as followings: (1)ACD/LogP: 0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 33; (8)ACD/KOC (pH 7.4): 33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.439; (14)Molar Refractivity: 33.869 cm3; (15)Molar Volume: 128.747 cm3; (16)Polarizability: 13.427×10-24cm3; (17)Surface Tension: 31.178 dyne/cm; (18)Density: 0.996 g/cm3; (19)Flash Point: 75.121 °C; (20)Enthalpy of Vaporization: 43.35 kJ/mol; (21)Boiling Point: 197.304 °C at 760 mmHg; (22)Vapour Pressure: 0.381 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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