CAS No.2216-32-2,4-ETHYLHEPTANE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2216-32-2
Name:	4-ETHYLHEPTANE
Article Data:	7

Formula:	C₉H₂₀
Molecular Weight:	128.258
Synonyms:	4-Ethylheptane;Ethylheptane, 4-;Ethylheptane;
Density:	0.722 g/cm³
Melting Point:	-113.19°C
Boiling Point:	141.2 °C at 760 mmHg
Flash Point:	24 °C
Solubility:	242.2ug/L(temperature not stated)
PSA:	0.00000
LogP:	3.61280

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Specification

This chemical is called Heptane, 4-ethyl-, and it can also be named as 4-Ethylheptane. With the molecular formula of C₉H₂₀, its molecular weight is 128.2551. The CAS registry number of this chemical is 2216-32-2.

Other characteristics of the Heptane, 4-ethyl- can be summarised as follows: (1)ACD/LogP: 5.35; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.35; (4)ACD/LogD (pH 7.4): 5.35; (5)ACD/BCF (pH 5.5): 6899.04; (6)ACD/BCF (pH 7.4): 6899.04; (7)ACD/KOC (pH 5.5): 19471.34; (8)ACD/KOC (pH 7.4): 19471.34; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.407; (14)Molar Refractivity: 43.7 cm³; (15)Molar Volume: 177.4 cm³; (16)Polarizability: 17.32×10^-24 cm³; (17)Surface Tension: 22.7 dyne/cm; (18)Density: 0.722 g/cm³; (19)Flash Point: 24 °C; (20)Enthalpy of Vaporization: 36.28 kJ/mol; (21)Boiling Point: 141.2 °C at 760 mmHg; (22)Vapour Pressure: 7.39 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CCC(CCC)CCC
2.InChI: InChI=1/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3
3.InChIKey: XMROPFQWHHUFFS-UHFFFAOYAJ