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15672-88-5

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Basic Information
CAS No.: 15672-88-5
Name: 1-IODO-3,3-DIMETHYLBUTANE
Article Data: 1
Molecular Structure:
Molecular Structure of 15672-88-5 (1-IODO-3,3-DIMETHYLBUTANE)
Formula: C6H13I
Molecular Weight: 212.074
Synonyms: 3,3-Dimethylbutyl iodide;3,3-Dimethyl-1-iodobutane;1-Iodo-3,3-dimethylbutane;
Density: 1.448 g/cm3
Melting Point: -68.15°C (estimate)
Boiling Point: 152.4 °C at 760 mmHg
Flash Point: 36.5 °C
PSA: 0.00000
LogP: 2.85760
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Specification

The Butane,1-iodo-3,3-dimethyl- is an organic compound with the formula C6H13I. With the CAS registry number 15672-88-5, the systematic name of this chemical is 1-iodo-3,3-dimethylbutane.

Physical properties about Butane,1-iodo-3,3-dimethyl- are: (1)ACD/LogP: 3.79; (2)ACD/LogD (pH 5.5): 3.79; (3)ACD/LogD (pH 7.4): 3.79; (4)ACD/BCF (pH 5.5): 445.38; (5)ACD/BCF (pH 7.4): 445.38; (6)ACD/KOC (pH 5.5): 2738.82; (7)ACD/KOC (pH 7.4): 2738.82; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.495; (10)Molar Refractivity: 42.78 cm3; (11)Molar Volume: 146.4 cm3; (12)Polarizability: 16.95×10-24cm3; (13)Surface Tension: 29 dyne/cm; (14)Density: 1.448 g/cm3; (15)Flash Point: 36.5 °C; (16)Enthalpy of Vaporization: 37.32 kJ/mol; (17)Boiling Point: 152.4 °C at 760 mmHg; (18)Vapour Pressure: 4.48 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)CCI
(2)InChI: InChI=1/C6H13I/c1-6(2,3)4-5-7/h4-5H2,1-3H3
(3)InChIKey: KNKFLSQIGYRZAQ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C6H13I/c1-6(2,3)4-5-7/h4-5H2,1-3H3
(5)Std. InChIKey: KNKFLSQIGYRZAQ-UHFFFAOYSA-N