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1559-07-5

Basic Information
CAS No.: 1559-07-5
Name: N-BUTYL HEPTAFLUOROBUTYRATE
Molecular Structure:
Molecular Structure of 1559-07-5 (N-BUTYL HEPTAFLUOROBUTYRATE)
Formula: C8H9F7O2
Molecular Weight: 270.14
Synonyms: Butanoicacid, heptafluoro-, butyl ester (9CI);Butyric acid, heptafluoro-, butyl ester(6CI,7CI,8CI);Butyl heptafluorobutyrate;Butyl perfluorobutanoate;Butylperfluorobutyrate;Butyric acid, heptafluoro-, butyl ester;Butyl 2,2,3,3,4,4,4-heptafluorobutanoate;
EINECS: -0
Density: 1.335 g/cm3
Boiling Point: 146.1 °C at 760 mmHg
Flash Point: 41.7 °C
Hazard Symbols: FlammableF
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 26.30000
LogP: 3.16260
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Specification

The Butanoic acid,2,2,3,3,4,4,4-heptafluoro-, butyl ester, with the CAS registry number 1559-07-5, is also known as Butyric acid, heptafluoro-, butyl ester. This chemical's molecular formula is C8H9F7O2 and molecular weight is 270.14. What's more, its systematic name is butyl 2,2,3,3,4,4,4-heptafluorobutanoate. It should be sealed and stored in a cool and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.

Physical properties of Butanoic acid,2,2,3,3,4,4,4-heptafluoro-, butyl ester are: (1)ACD/LogP: 4.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.63; (4)ACD/LogD (pH 7.4): 4.63; (5)ACD/BCF (pH 5.5): 1946.75; (6)ACD/BCF (pH 7.4): 1946.75; (7)ACD/KOC (pH 5.5): 7872.01; (8)ACD/KOC (pH 7.4): 7872.01; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.335; (14)Molar Refractivity: 41.93 cm3; (15)Molar Volume: 202.3 cm3; (16)Polarizability: 16.62×10-24cm3; (17)Surface Tension: 19.8 dyne/cm; (18)Density: 1.335 g/cm3; (19)Flash Point: 41.7 °C; (20)Enthalpy of Vaporization: 38.31 kJ/mol; (21)Boiling Point: 146.1 °C at 760 mmHg; (22)Vapour Pressure: 4.72 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F
(2)InChI: InChI=1S/C8H9F7O2/c1-2-3-4-17-5(16)6(9,10)7(11,12)8(13,14)15/h2-4H2,1H3
(3)InChIKey: YDXXJZKOOOJVEE-UHFFFAOYSA-N