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Pentane,1,1-bis(methylsulfonyl)-

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Name

Pentane,1,1-bis(methylsulfonyl)-

EINECS N/A
CAS No. 6330-38-7 Density 1.224 g/cm3
PSA 85.04000 LogP 2.75350
Solubility N/A Melting Point N/A
Formula C7H16O4S2 Boiling Point 445.8 °C at 760 mmHg
Molecular Weight 228.33 Flash Point 291 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6330-38-7 (1,1-bis(methylsulfonyl)pentane) Hazard Symbols N/A
Synonyms

NSC 47020;1,1-Bis(methylsulfonyl)pentane;

 

Pentane,1,1-bis(methylsulfonyl)- Specification

The Pentane,1,1-bis(methylsulfonyl)- has the CAS registry number 6330-38-7. This chemical's molecular formula is C7H16O4S2 and molecular weight is 228.33. What's more, its systematic name is 1,1-Bis(methylsulfonyl)pentane.

Physical properties of Pentane,1,1-bis(methylsulfonyl)- are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 85.04 Å2; (7)Index of Refraction: 1.47; (8)Molar Refractivity: 52.06 cm3; (9)Molar Volume: 186.5 cm3; (10)Polarizability: 20.64×10-24 cm3; (11)Surface Tension: 41.8 dyne/cm; (12)Density: 1.224 g/cm3; (13)Flash Point: 291 °C; (14)Enthalpy of Vaporization: 67.67 kJ/mol; (15)Boiling Point: 445.8 °C at 760 mmHg; (16)Vapour Pressure: 1.01E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(C(CCCC)S(=O)(=O)C)C
(2)InChI: InChI=1/C7H16O4S2/c1-4-5-6-7(12(2,8)9)13(3,10)11/h7H,4-6H2,1-3H3
(3)InChIKey: NZHDJFJYVVYBEJ-UHFFFAOYSA-N

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