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| CAS No.: | 681128-39-2 |
|---|---|
| Name: | (3,3-Difluorocyclobutyl)methanol |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C5H8F2O |
| Molecular Weight: | 122.115 |
| Synonyms: | Cyclobutanemethanol, 3,3-difluoro-; |
| Density: | 1.201 g/cm3 |
| Boiling Point: | 130.943 °C at 760 mmHg |
| Flash Point: | 32.994 °C |
| PSA: | 20.23000 |
| LogP: | 1.02400 |
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Specification
The (3,3-Difluorocyclobutyl)methanol, with the CAS registry number 681128-39-2, is also known as cyclobutanemethanol, 3,3-difluoro-. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of this chemical is C5H8F2O.
The physical properties of (3,3-Difluorocyclobutyl)methanol are as following: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 6.385; (5)ACD/KOC (pH 7.4): 6.385; (6)#H bond acceptors: 1; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 20.23 Å2; (10)Index of Refraction: 1.405; (11)Molar Refractivity: 24.906 cm3; (12)Molar Volume: 101.657 cm3; (13)Polarizability: 9.874×10-24cm3; (14)Surface Tension: 26.275 dyne/cm; (15)Density: 1.201 g/cm3; (16)Flash Point: 32.994 °C; (17)Enthalpy of Vaporization: 42.946 kJ/mol; (18)Boiling Point: 130.943 °C at 760 mmHg; (19)Vapour Pressure: 4.221 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)CCCCCCCCCCCCCCC
(2)InChI: InChI=1/C16H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1
(3)InChIKey: GGXKEBACDBNFAF-REWHXWOFAK