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Cyclobutanecarboxylicacid, 3,3-difluoro- (107496-54-8)

Identification
Name:Cyclobutanecarboxylicacid, 3,3-difluoro-
Synonyms:3,3-Difluorocyclobutanecarboxylicacid
CAS:107496-54-8
Molecular Formula: C5H6F2O2
Molecular Weight: 136.10
InChI: InChI=1/C5H6F2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)
Molecular Structure: (C5H6F2O2) 3,3-Difluorocyclobutanecarboxylicacid
Properties
Flash Point: 78 ºC
Boiling Point: 205 ºC
Density:1.37
Refractive index:1.42
Specification:

The CAS register number of 3,3-Difluorocyclobutanecarboxylic acid is 107496-54-8. It also can be called as Cyclobutanecarboxylicacid, 3,3-difluoro- and the IUPAC name about this chemical is 3,3-difluorocyclobutane-1-carboxylic acid. The molecular formula about this chemical is C5H6F2O2 and the molecular weight is 136.10.

Physical properties about 3,3-Difluorocyclobutanecarboxylic acid are: (1)ACD/LogP: -0.10; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 37.3Å2; (10)Index of Refraction: 1.42; (11)Molar Refractivity: 25.022 cm3; (12)Molar Volume: 98.972 cm3; (13)Polarizability: 9.92x10-24cm3; (14)Surface Tension: 31.961 dyne/cm; (15)Enthalpy of Vaporization: 48.593 kJ/mol; (16)Boiling Point: 204.688 °C at 760 mmHg; (17)Vapour Pressure: 0.106 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1C(CC1(F)F)C(=O)O
(2)InChI: InChI=1/C5H6F2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)
(3)InChIKey: PLRCVBKYFLWAAT-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C5H6F2O2/c6-5(7)1-3(2-5)4(8)9/h3H,1-2H2,(H,8,9)
(5)Std. InChIKey: PLRCVBKYFLWAAT-UHFFFAOYSA-N

Flash Point: 78 ºC
Safety Data
 

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