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375-53-1

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Basic Information
CAS No.: 375-53-1
Name: NONAFLUOROPENTANAL HYDRATE
Article Data: 12
Molecular Structure:
Molecular Structure of 375-53-1 (NONAFLUOROPENTANAL HYDRATE)
Formula: C5HF9O
Molecular Weight: 248.048
Synonyms: Valeraldehyde, nonafluoro- (7CI,8CI);Pentanal,nonafluoro- (9CI);Nonafluoropentanal;Perfluorovaleraldehyde;2,2,3,3,4,4,5,5,5-Nonafluoropentanal;
Density: 1.573 g/cm3
Melting Point: 50 °C
Boiling Point: 28.7 °C at 760 mmHg
Hazard Symbols: Xi
PSA: 26.30000
LogP: 2.58920
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Specification

The Pentanal,2,2,3,3,4,4,5,5,5-nonafluoro-, with the CAS registry number 375-53-1, is also known as Perfluorovaleraldehyde. This chemical's molecular formula is C5HF9O and molecular weight is 248.05. What's more, its systematic name is 2,2,3,3,4,4,5,5,5-Nonafluoropentanal.

Physical properties of Pentanal,2,2,3,3,4,4,5,5,5-nonafluoro- are: (1)ACD/LogP: 5.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.42; (4)ACD/LogD (pH 7.4): 5.42; (5)ACD/BCF (pH 5.5): 7733.56; (6)ACD/BCF (pH 7.4): 7733.56; (7)ACD/KOC (pH 5.5): 21129.66; (8)ACD/KOC (pH 7.4): 21129.66; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.269; (14)Molar Refractivity: 26.73 cm3; (15)Molar Volume: 157.6 cm3; (16)Polarizability: 10.59×10-24 cm3; (17)Surface Tension: 14.1 dyne/cm; (18)Density: 1.573 g/cm3; (19)Enthalpy of Vaporization: 27.45 kJ/mol; (20)Boiling Point: 28.7 °C at 760 mmHg; (21)Vapour Pressure: 661 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(F)(F)F)C(F)(F)C=O
(2)InChI: InChI=1/C5HF9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1H
(3)InChIKey: ILSWGKFIWBVLDG-UHFFFAOYSA-N