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| CAS No.: | 7515-29-9 |
|---|---|
| Name: | 1-Cyclobutylethanol |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C6H12O |
| Molecular Weight: | 100.161 |
| Synonyms: | 1-CYCLOBUTYLETHANOL;1-Hydroxyethylcyclobutane;α-Methylcyclobutanemethanol;a-Methylcyclobutanemethanol;1-cyclobutylethan-1-ol |
| Density: | 0.962 g/cm3 |
| Boiling Point: | 144.5 °C at 760 mmHg |
| Flash Point: | 57.9 °C |
| PSA: | 20.23000 |
| LogP: | 1.16730 |
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Specification
The 1-Cyclobutylethanol is an organic compound with the formula C6H12O. The IUPAC name of this chemical is 1-cyclobutylethanol. With the CAS registry number 7515-29-9, it is also named as Cyclobutanemethanol, α-methyl-. The product's categories are Various Intermediates; Intermediates.
Physical properties about 1-Cyclobutylethanol are: (1)ACD/LogP: 1.09; (2)ACD/LogD (pH 5.5): 1.09; (3)ACD/LogD (pH 7.4): 1.09; (4)ACD/BCF (pH 5.5): 3.97; (5)ACD/BCF (pH 7.4): 3.97; (6)ACD/KOC (pH 5.5): 93.43; (7)ACD/KOC (pH 7.4): 93.43; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.473; (13)Molar Refractivity: 29.21 cm3; (14)Molar Volume: 104 cm3; (15)Polarizability: 11.58×10-24cm3; (16)Surface Tension: 35.2 dyne/cm; (17)Density: 0.962 g/cm3; (18)Flash Point: 57.9 °C; (19)Enthalpy of Vaporization: 44.45 kJ/mol; (20)Boiling Point: 144.5 °C at 760 mmHg; (21)Vapour Pressure: 2.02 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OC(C)C1CCC1
(2)InChI: InChI=1/C6H12O/c1-5(7)6-3-2-4-6/h5-7H,2-4H2,1H3
(3)InChIKey: PFGPCAYJUYSJJS-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H12O/c1-5(7)6-3-2-4-6/h5-7H,2-4H2,1H3
(5)Std. InChIKey: PFGPCAYJUYSJJS-UHFFFAOYSA-N