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Hexanoic acid,3,3,4,4,5,5,6,6,6-nonafluoro-2-methylene-, ethyl ester (117374-41-1)

Identification
Name:Hexanoic acid,3,3,4,4,5,5,6,6,6-nonafluoro-2-methylene-, ethyl ester
Synonyms:Ethyl2-(perfluorobutyl)acrylate;
CAS:117374-41-1
Molecular Formula: C9H7F9O2
Molecular Weight: 318.14
InChI: InChI=1/C9H7F9O2/c1-2-5(19)20-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-4H2
Molecular Structure: (C9H7F9O2) Ethyl2-(perfluorobutyl)acrylate;
Properties
Flash Point: 52.1°C
Boiling Point: 164°Cat760mmHg
Density:1.414g/cm3
Refractive index:1.34
Specification:

The 2-(Nonafluorobutyl)ethyl acrylate with its cas register number is 117374-41-1. It also can be called as 2-(Perfluorobutyl)ethyl acrylate and the Systematic name about this chemical is 3,3,4,4,5,5,6,6,6-nonafluorohexyl prop-2-enoate.

Physical properties about 2-(Nonafluorobutyl)ethyl acrylate are: (1)ACD/LogP: 4.38; (2)ACD/LogD (pH 5.5): 4.38; (3)ACD/LogD (pH 7.4): 4.38; (4)ACD/BCF (pH 5.5): 1255.53; (5)ACD/BCF (pH 7.4): 1255.53; (6)ACD/KOC (pH 5.5): 5750.96; (7)ACD/KOC (pH 7.4): 5750.96; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 7; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.335; (12)Molar Refractivity: 46.58 cm3; (13)Molar Volume: 224.8 cm3; (14)Polarizability: 18.46x10-24cm3; (15)Surface Tension: 19 dyne/cm; (16)Enthalpy of Vaporization: 40.06 kJ/mol; (17)Vapour Pressure: 2 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of 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(F)(CCOC(=O)\C=C)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C9H7F9O2/c1-2-5(19)20-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-4H2
(3)InChIKey: GYUPEJSTJSFVRR-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H7F9O2/c1-2-5(19)20-4-3-6(10,11)7(12,13)8(14,15)9(16,17)18/h2H,1,3-4H2
(5)Std. InChIKey: GYUPEJSTJSFVRR-UHFFFAOYSA-N

Flash Point: 52.1°C
Safety Data
Hazard Symbols Xi: Irritant
 

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