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CAS No.: | 6140-65-4 |
---|---|
Name: | -1-Cyclopentene-1-carbaldehyde |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C6H8O |
Molecular Weight: | 96.1289 |
Synonyms: | cyclopentene-1-carbaldehyde; |
Density: | 1.11 g/cm3 |
Melting Point: | 75-77℃ |
Boiling Point: | 146 °C at 760 mmHg |
Flash Point: | 47 °C |
PSA: | 17.07000 |
LogP: | 1.29560 |
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This chemical is called 1-Cyclopentene-1-carboxaldehyde, and its systematic name is cyclopent-1-ene-1-carbaldehyde. With the molecular formula of C6H8O, its molecular weight is 96.13. The CAS registry number of this chemical is 6140-65-4.
Other characteristics of the 1-Cyclopentene-1-carboxaldehyde can be summarised as followings: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.07; (5)ACD/BCF (pH 5.5): 3.84; (6)ACD/BCF (pH 7.4): 3.84; (7)ACD/KOC (pH 5.5): 91.15; (8)ACD/KOC (pH 7.4): 91.15; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 29.26 cm3; (15)Molar Volume: 86.5 cm3; (16)Polarizability: 11.6×10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.11 g/cm3; (19)Flash Point: 47 °C; (20)Enthalpy of Vaporization: 38.3 kJ/mol; (21)Boiling Point: 146 °C at 760 mmHg; (22)Vapour Pressure: 4.73 mmHg at 25°C.
Uses of this chemical: The 1-Cyclopentene-1-carboxaldehyde could react with butyllithium, and obtain the 1-(1-cyclopentenyl)pentan-1-ol. This reaction needs the solvent of diethyl ether, hexane. The yield is 83 %. In addition, this reaction should be taken at ambient temperature.
You can still convert the following datas into molecular structure:
1.SMILES: O=C/C1=C/CCC1
2.InChI: InChI=1/C6H8O/c7-5-6-3-1-2-4-6/h3,5H,1-2,4H2
3.InChIKey: RALDHUZFXJKFQB-UHFFFAOYAF