Cyclohexanecarboxylicacid, sodium salt (1:1) (136-01-6)

The Sodium cyclohexanecarboxylate is an organic compound with the formula C₇H₁₁NaO₂. The IUPAC name of this chemical is sodium cyclohexanecarboxylate. With the CAS registry number 136-01-6, it is also named as Cyclohexanecarboxylic acid, sodium salt.

Physical properties about Sodium cyclohexanecarboxylate are: (1)ACD/LogP: 1.77; (2)ACD/LogD (pH 5.5): 1.09; (3)ACD/LogD (pH 7.4): -0.69; (4)ACD/BCF (pH 5.5): 2.71; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 45.32; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 37.3 Å²; (12)Flash Point: 107 °C; (13)Enthalpy of Vaporization: 51.74 kJ/mol; (14)Boiling Point: 233 °C at 760 mmHg; (15)Vapour Pressure: 0.02 mmHg at 25°C.

Uses of Sodium cyclohexanecarboxylate: it can be used to produce cyclohexanecarbaldehyde at ambient temperature. It will need reagent 9-borabicyclo<3.3.1>nonane and solvent tetrahydrofuran with reaction time of 1 hour. The yield is about 90%.

You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]C(=O)C1CCCCC1
(2)InChI: InChI=1/C7H12O2.Na/c8-7(9)6-4-2-1-3-5-6;/h6H,1-5H2,(H,8,9);/q;+1/p-1
(3)InChIKey: XTIVBOWLUYDHKE-REWHXWOFAA
(4)Std. InChI: InChI=1S/C7H12O2.Na/c8-7(9)6-4-2-1-3-5-6;/h6H,1-5H2,(H,8,9);/q;+1/p-1
(5)Std. InChIKey: XTIVBOWLUYDHKE-UHFFFAOYSA-M