1,2-CYCLOHEXANEDICARBOXYLIC ACID

The 1,2-Cyclohexanedicarboxylicacid is an organic compound with the formula C₈H₁₂O₄. The IUPAC name of this chemical is Cyclohexane-1,2-dicarboxylic acid. With the CAS registry number 1687-30-5, it is also named as 1,2-Benzenedicarboxylic acid, hexahydro-. Besides, its molecular weight is 172.18.

Physical properties about 1,2-Cyclohexanedicarboxylicacid are: (1)ACD/LogP: 0.64; (2)ACD/LogD (pH 5.5): -0.8; (3)ACD/LogD (pH 7.4): -3.66; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1.92; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 52.6 Å²; (12)Index of Refraction: 1.521; (13)Molar Refractivity: 39.88 cm³; (14)Molar Volume: 130.9 cm³; (15)Polarizability: 15.81×10^-24 cm³; (16)Surface Tension: 57.8 dyne/cm; (17)Density: 1.314 g/cm³; (18)Flash Point: 200.3 °C; (19)Enthalpy of Vaporization: 69.46 kJ/mol; (20)Boiling Point: 384.1 °C at 760 mmHg; (21)Vapour Pressure: 5.78E-07 mmHg at 25 °C.

Preparation: this chemical can be prepared by Phthalic acid. This reaction is a kind of Metallation. This reaction will need reagents KOH; H₂, catalyst RNU-5. The reaction temperature is 150 °C. And this reaction PH is 14. The yield is about 95%.

Uses of 1,2-Cyclohexanedicarboxylicacid: it can be used to produce Oxalic acid at temperature of 249.9 °C. It will need reagent O₂ and solvent H₂O with reaction time of 2 hours. The yield is about 57.9%.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
(2)InChIKey: QSAWQNUELGIYBC-UHFFFAOYAS
(3)Std. InChI: InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
(4)Std. InChIKey: QSAWQNUELGIYBC-UHFFFAOYSA-N