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31772-05-1

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Basic Information
CAS No.: 31772-05-1
Name: 1,13-Dibromotridecane
Molecular Structure:
Molecular Structure of 31772-05-1 (1,13-Dibromotridecane)
Formula: C13H26Br2
Molecular Weight: 342.157
Synonyms: 1,13-Dibromotridecane;Tridecamethylene dibromide;
Density: 1.27 g/cm3
Melting Point: 9°C
Boiling Point: 349.963 °C at 760 mmHg
Flash Point: 192.722 °C
PSA: 0.00000
LogP: 6.06730
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Specification

This chemical is called 1,13-Dibromotridecane. With the molecular formula of C13H26Br2, its molecular weight is 342.15. The CAS registry number of this chemical is 31772-05-1.

Other characteristics of the 1,13-Dibromotridecane can be summarised as followings: (1)ACD/LogP: 7.50; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 12; (8)Polar Surface Area: 0 Å2; (9)Index of Refraction: 1.489; (10)Molar Refractivity: 77.74 cm3; (11)Molar Volume: 269.487 cm3; (12)Polarizability: 30.818×10-24cm3; (13)Surface Tension: 34.608 dyne/cm; (14)Density: 1.27 g/cm3; (15)Flash Point: 192.722 °C; (16)Enthalpy of Vaporization: 57.103 kJ/mol; (17)Boiling Point: 349.963 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: BrCCCCCCCCCCCCCBr
2.InChI: InChI=1/C13H26Br2/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h1-13H2
3.InChIKey: BDFXEIRNKZFBFT-UHFFFAOYAM