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CAS No.: | 16408-62-1 |
---|---|
Name: | (IODOMETHYL)CYCLOBUTANE |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C5H9I |
Molecular Weight: | 196.031 |
Synonyms: | (Iodomethyl)cyclobutane;Cyclobutylmethyl iodide; |
Density: | 1.768g/cm3 |
Boiling Point: | 166.7 °C at 760 mmHg |
Flash Point: | 66.9 °C |
PSA: | 0.00000 |
LogP: | 2.22150 |
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The Cyclobutane,(iodomethyl)-, with CAS registry number 16408-62-1, has the systematic name of (iodomethyl)cyclobutane. Besides this, it is also called Iodomethyl)cyclobutane. Its molecular weight is 196.03. And the chemical formula of this chemical is C5H9I.
Physical properties of Cyclobutane,(iodomethyl)-: (1)ACD/LogP: 2.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.96; (5)ACD/BCF (pH 5.5): 104.47; (6)ACD/BCF (pH 7.4): 104.47; (7)ACD/KOC (pH 5.5): 970.11; (8)ACD/KOC (pH 7.4): 970.11; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 36.11 cm3; (15)Molar Volume: 110.8 cm3; (16)Polarizability: 14.31×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Density: 1.768 g/cm3; (19)Flash Point: 66.9 °C; (20)Enthalpy of Vaporization: 38.66 kJ/mol; (21)Boiling Point: 166.7 °C at 760 mmHg; (22)Vapour Pressure: 2.32 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ICC1CCC1
(2)InChI: InChI=1/C5H9I/c6-4-5-2-1-3-5/h5H,1-4H2
(3)InChIKey: FHHQLLOJOKZLST-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C5H9I/c6-4-5-2-1-3-5/h5H,1-4H2
(5)Std. InChIKey: FHHQLLOJOKZLST-UHFFFAOYSA-N