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CAS No.: | 172155-07-6 |
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Name: | PERFLUORO-3,7-DIMETHYLOCTANOIC ACID |
Molecular Structure: | |
Formula: | C10HF19O2 |
Molecular Weight: | 514.08 |
Synonyms: | PERFLUORO-3,7-DIMETHYLOCTANOIC ACID;PF3,7DIMEOA;3,7-Bis(trifluoromethyl)-2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluorooctanoic acid;3,7-Bis(trifluoromethyl)-2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluorooctanoic acid, Nonadecafluoro(3,7-dimethyloctanoic acid) |
Density: | 1.759g/cm3 |
Boiling Point: | 197.3 °C at 760 mmHg |
Flash Point: | 73.1 °C |
Hazard Symbols: | Xi; C |
Risk Codes: | 34 |
Safety: | 26-36/37/39 |
PSA: | 37.30000 |
LogP: | 5.71570 |
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The Octanoic acid,2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)-, with CAS registry number 172155-07-6, has the systematic name of 2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)octanoic acid. And the chemical formula of this chemical is C10HF19O2.
Physical properties of Octanoic acid,2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)-: (1)ACD/LogP: 9.82; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.08; (4)ACD/LogD (pH 7.4): 6.07; (5)ACD/BCF (pH 5.5): 3121.91; (6)ACD/BCF (pH 7.4): 3037.99; (7)ACD/KOC (pH 5.5): 956.13; (8)ACD/KOC (pH 7.4): 930.43; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å
2; (13)Index of Refraction: 1.288; (14)Molar Refractivity: 52.74 cm3; (15)Molar Volume: 292.1 cm3; (16)Polarizability: 20.9×10-24cm3; (17)Surface Tension: 16.4 dyne/cm; (18)Density: 1.759 g/cm3; (19)Flash Point: 73.1 °C; (20)Enthalpy of Vaporization: 47.78 kJ/mol; (21)Boiling Point: 197.3 °C at 760 mmHg; (22)Vapour Pressure: 0.162 mmHg at 25°C.When you are using this chemical, please be cautious about it as the following:
The Octanoic acid,2,2,3,4,4,5,5,6,6,7,8,8,8-tridecafluoro-3,7-bis(trifluoromethyl)- may cause burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(C(F)(F)F)(C(F)(F)C(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
(2)InChI: InChI=1/C10HF19O2/c11-2(12,1(30)31)3(13,8(21,22)23)5(15,16)7(19,20)6(17,18)4(14,9(24,25)26)10(27,28)29/h(H,30,31)
(3)InChIKey: KZUSAXRVIONPJU-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,8(21,22)23)5(15,16)7(19,20)6(17,18)4(14,9(24,25)26)10(27,28)29/h(H,30,31)
(5)Std. InChIKey: KZUSAXRVIONPJU-UHFFFAOYSA-N