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1809-05-8

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Basic Information
CAS No.: 1809-05-8
Name: 3-IODOPENTANE
Article Data: 18
Molecular Structure:
Molecular Structure of 1809-05-8 (3-IODOPENTANE)
Formula: C5H11I
Molecular Weight: 198.047
Synonyms: 3-Iodopentane;
EINECS: 217-313-5
Density: 1.52 g/cm3
Melting Point: -85.6°C (estimate)
Boiling Point: 146.6 °C at 760 mmHg
Flash Point: 44.6 °C
PSA: 0.00000
LogP: 2.61000
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Specification

The Pentane, 3-iodo- is an organic compound with the formula C5H11I. The IUPAC name of this chemical is 3-Iodopentane. With the CAS registry number 1809-05-8, it is also named as 3-Iodo-pentane. Besides, its molecular weight is 198.05.

Physical properties about Pentane, 3-iodo- are: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 3.44; (3)ACD/LogD (pH 7.4): 3.44; (4)ACD/BCF (pH 5.5): 241.6; (5)ACD/BCF (pH 7.4): 241.6; (6)ACD/KOC (pH 5.5): 1767.8; (7)ACD/KOC (pH 7.4): 1767.8; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.497; (10)Molar Refractivity: 38.14 cm3; (11)Molar Volume: 130.2 cm3; (12)Polarizability: 15.12×10-24 cm3; (13)Surface Tension: 29 dyne/cm; (14)Density: 1.52 g/cm3; (15)Flash Point: 44.6 °C; (16)Enthalpy of Vaporization: 36.78 kJ/mol; (17)Boiling Point: 146.6 °C at 760 mmHg; (18)Vapour Pressure: 5.82 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H11I/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
(2)InChIKey: VRQDQJYBWZERBW-UHFFFAOYAV
(3)Std. InChI: InChI=1S/C5H11I/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
(4)Std. InChIKey: VRQDQJYBWZERBW-UHFFFAOYSA-N