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| CAS No.: | 6704-19-4 |
|---|---|
| Name: | 1-Cyclopropyl-1-propanone |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C6H10O |
| Molecular Weight: | 98.1448 |
| Synonyms: | 1-Cyclopropyl-1-propanone;Ethyl cyclopropyl ketone |
| Density: | 0.971 g/cm3 |
| Boiling Point: | 134.3 °C at 760 mmHg |
| Flash Point: | 31 °C |
| PSA: | 17.07000 |
| LogP: | 1.37550 |
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Specification
This chemical is called Ethyl cyclopropyl ketone, and its systematic name is 1-cyclopropylpropan-1-one. With the molecular formula of C6H10O, its molecular weight is 98.14. The CAS registry number of this chemical is 6704-19-4.
Other characteristics of the Ethyl cyclopropyl ketone can be summarised as followings: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.74; (4)ACD/LogD (pH 7.4): 0.74; (5)ACD/BCF (pH 5.5): 2.15; (6)ACD/BCF (pH 7.4): 2.15; (7)ACD/KOC (pH 5.5): 60.25; (8)ACD/KOC (pH 7.4): 60.25; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 27.67 cm3; (15)Molar Volume: 100.9 cm3; (16)Polarizability: 10.97×10-24cm3; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 0.971 g/cm3; (19)Flash Point: 31 °C; (20)Enthalpy of Vaporization: 37.17 kJ/mol; (21)Boiling Point: 134.3 °C at 760 mmHg; (22)Vapour Pressure: 8.15 mmHg at 25°C.
Production method of this chemical: The Ethyl cyclopropyl ketone could be obtained by the reactant of 6-chloro-hexan-3-one, the reagent of KOH-solution.
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Uses of this chemical: The could 1-cyclopropyl-propan-1-ol be obtained by the reactant of Ethyl cyclopropyl ketone, the reagents of sodium and alcohol.
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You can still convert the following datas into molecular structure:
1.SMILES: O=C(CC)C1CC1
2.InChI: InChI=1/C6H10O/c1-2-6(7)5-3-4-5/h5H,2-4H2,1H3
3.InChIKey: JXAVVBPORYWDME-UHFFFAOYAV
4.Std. InChI: InChI=1S/C6H10O/c1-2-6(7)5-3-4-5/h5H,2-4H2,1H3
5.Std. InChIKey: JXAVVBPORYWDME-UHFFFAOYSA-N