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125070-38-4

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Basic Information
CAS No.: 125070-38-4
Name: 4,4,5,5,6,6,7,7,7-NONAFLUOROHEPTANE-1,2-DIOL
Molecular Structure:
Molecular Structure of 125070-38-4 (4,4,5,5,6,6,7,7,7-NONAFLUOROHEPTANE-1,2-DIOL)
Formula: C7H7F9O2
Molecular Weight: 294.11
Synonyms: 4,4,5,5,6,6,7,7,7-NONAFLUOROHEPTANE-1,2-DIOL;4,4,5,5,6,6,7,7,7-NONAFLUOROHEPTANE-1,2-DIOL 97%;1H,1H,2H,3H,3H-Perfluoroheptane-1,2-diol;4,4,5,5,6,6,7,7,7-Nonafluoro-1,2-heptanediol
Density: 1.558 g/cm3
Boiling Point: 178.4 °C at 760 mmHg
Flash Point: 61.7 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 40.46000
LogP: 2.19790
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Specification

This chemical is called 1,2-Heptanediol,4,4,5,5,6,6,7,7,7-nonafluoro-, and its systematic name is 4,4,5,5,6,6,7,7,7-nonafluoroheptane-1,2-diol. With the molecular formula of C7H7F9O2, its molecular weight is 294.11. The CAS registry number of this chemical is 125070-38-4.

Other characteristics of the 1,2-Heptanediol,4,4,5,5,6,6,7,7,7-nonafluoro- can be summarised as followings: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.37; (4)ACD/LogD (pH 7.4): 1.37; (5)ACD/BCF (pH 5.5): 6.46; (6)ACD/BCF (pH 7.4): 6.46; (7)ACD/KOC (pH 5.5): 132.28; (8)ACD/KOC (pH 7.4): 132.28; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.333; (14)Molar Refractivity: 38.84 cm3; (15)Molar Volume: 188.6 cm3; (16)Polarizability: 15.39×10-24cm3; (17)Surface Tension: 21.7 dyne/cm; (18)Density: 1.558 g/cm3; (19)Flash Point: 61.7 °C; (20)Enthalpy of Vaporization: 48.27 kJ/mol; (21)Boiling Point: 178.4 °C at 760 mmHg; (22)Vapour Pressure: 0.298 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: FC(F)(C(F)(F)C(F)(F)C(F)(F)F)CC(O)CO
2.InChI: InChI=1/C7H7F9O2/c8-4(9,1-3(18)2-17)5(10,11)6(12,13)7(14,15)16/h3,17-18H,1-2H2
3.InChIKey: FAQXMAJQQVDRQM-UHFFFAOYAN