Cyclopentanecarboxylic acid

1.Introduction of Cyclopentanecarboxylic acid

Cyclopentanecarboxylic acid is an organic compound with the formula C₆H₁₀O₂, and its systematic name is the same with the product name. With the CAS registry number 3400-45-1, it is also named as Cyclopentanoicacid. It belongs to the product categories of C6; Carbonyl Compounds; Carboxylic Acids. Its EINECS number is 222-269-5. In addition, the molecular weight is 114.14. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light. It is used in organic synthesis.

2.Physical properties of Cyclopentanecarboxylic acid

(1)ACD/LogP: 1.123; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.34; (4)ACD/LogD (pH 7.4): -1.45; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 16.08; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 29.166 cm³; (15)Molar Volume: 100.965 cm³; (16)Polarizability: 11.562×10^-24cm³; (17)Surface Tension: 44.54 dyne/cm; (18)Density: 1.13 g/cm³; (19)Flash Point: 96.251 °C; (20)Enthalpy of Vaporization: 49.603 kJ/mol; (21)Boiling Point: 213.832 °C at 760 mmHg; (22)Vapour Pressure: 0.06 mmHg at 25°C.

3.Structure descriptors of Cyclopentanecarboxylic acid

(1)SMILES: O=C(O)C1CCCC1
(2)Std. InChI: InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)
(3)Std. InChIKey: JBDSSBMEKXHSJF-UHFFFAOYSA-N
 

4.Preparation of Cyclopentanecarboxylic acid

Cyclopentanecarboxylic acid can be prepared by cyclohexanone by heating. This reaction will need reagents poly(bisanthracenyl) diselenide, aq. H₂O₂ and solvent 2-methyl-propan-2-ol with the reaction time of 5 hours. The yield is about 60%.

5.Uses of Cyclopentanecarboxylic acid

Cyclopentanecarboxylic acid can be used to produce cyclopentanecarbonyl chloride at the ambient temperature. It will need reagent SOCl₂ with the reaction time of 2 hours. The yield is about 83.5%.

6.Safety information of Cyclopentanecarboxylic acid

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 to wear suitable protective clothing, gloves and eye/face protection.