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| CAS No.: | 112823-30-0 |
|---|---|
| Name: | 3-(iodomethyl)-3-methyloxetane |
| Molecular Structure: | |
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| Formula: | C5H9IO |
| Molecular Weight: | 212.03 |
| Synonyms: | 3-(Iodomethyl)-3-methyloxetane; |
| Density: | 1.762 g/cm3 |
| Boiling Point: | 187.696 °C at 760 mmHg |
| Flash Point: | 67.316 °C |
| PSA: | 9.23000 |
| LogP: | 1.45790 |
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Specification
The Oxetane,3-(iodomethyl)-3-methyl-, with the CAS registry number 112823-30-0, has the molecular formula C5H9IO. In addition, this chemical's molecular weight is 212.0288. Its systematic name is called 3-(iodomethyl)-3-methyloxetane.
Physical properties of Oxetane,3-(iodomethyl)-3-methyl-: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 141; (7)ACD/KOC (pH 7.4): 141; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.539; (11)Molar Refractivity: 37.717 cm3; (12)Molar Volume: 120.335 cm3; (13)Surface Tension: 42.24 dyne/cm; (14)Density: 1.762 g/cm3; (15)Flash Point: 67.316 °C; (16)Enthalpy of Vaporization: 40.655 kJ/mol; (17)Boiling Point: 187.696 °C at 760 mmHg; (18)Vapour Pressure: 0.857 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC1(CI)COC1
(2)InChI: InChI=1/C5H9IO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
(3)InChIKey: UAYNHSVKPDQASH-UHFFFAOYAF