The Diglycidyl 4,5-epoxycyclohexane-1,2-dicarboxylate, with the CAS registry number 25293-64-5, has the systematic name of 7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylic acid, bis(oxiranylmethyl) ester. And the molecular formula of the chemical is C14H18O7.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 1.06; (5)ACD/BCF (pH 5.5): 3.76; (6)ACD/BCF (pH 7.4): 3.76; (7)ACD/KOC (pH 5.5): 89.87; (8)ACD/KOC (pH 7.4): 89.87; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 90.19 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 66.91 cm3; (15)Molar Volume: 212 cm3; (16)Polarizability: 26.52×10-24cm3; (17)Surface Tension: 53.1 dyne/cm; (18)Density: 1.406 g/cm3; (19)Flash Point: 200.6 °C; (20)Enthalpy of Vaporization: 70.58 kJ/mol; (21)Boiling Point: 447.4 °C at 760 mmHg; (22)Vapour Pressure: 3.37E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C1C(C(CC2C1O2)C(=O)OCC3CO3)C(=O)OCC4CO4
(2)InChI: InChI=1/C14H18O7/c15-13(19-5-7-3-17-7)9-1-11-12(21-11)2-10(9)14(16)20-6-8-4-18-8/h7-12H,1-6H2
(3)InChIKey: ITZGNPZZAICLKA-UHFFFAOYAI
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