| Identification | |
| Name: | 2H-Azepin-2-one,1,1'-(1,3-phenylenedicarbonyl)bis[hexahydro- |
| Synonyms: | 2H-Azepin-2-one,1,1'-isophthaloylbis[hexahydro- (7CI,8CI); 1,1'-Isophthaloylbiscaprolactam;Isophthaloyl-bis-e-caprolactam;Isophthaloylbis(N-caprolactam); Isophthaloylbiscaprolactam;N,N'-Isophthaloylbis(caprolactam); N,N'-Isophthaloylbis(e-caprolactam);N,N'-Isophthaloyldicaprolactam |
| CAS: | 7381-13-7 |
| Molecular Formula: | C20H24 N2 O4 |
| Molecular Weight: | 356.4156 |
| InChI: | InChI=1/C20H24N2O4/c23-17-10-3-1-5-12-21(17)19(25)15-8-7-9-16(14-15)20(26)22-13-6-2-4-11-18(22)24/h7-9,14H,1-6,10-13H2 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.237 |
| Refractive index: | 1.579 |
| Specification: |
The 1,1'-Isophthaloylbiscaprolactam, with the CAS registry number 7381-13-7, has the systematic name of 1,1'-(benzene-1,3-diyldicarbonyl)diazepan-2-one. It is also called 1-[3-(2-oxoazepane-1-carbonyl)benzoyl]azepan-2-one. And the molecular formula of the chemical is C20H24N2O4. The characteristics of 1,1'-Isophthaloylbiscaprolactam are as followings: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.47; (6)ACD/BCF (pH 7.4): 1.47; (7)ACD/KOC (pH 5.5): 45.89; (8)ACD/KOC (pH 7.4): 45.89; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 74.76 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 95.77 cm3; (15)Molar Volume: 288.1 cm3; (16)Polarizability: 37.96×10-24cm3; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.237 g/cm3; (19)Flash Point: 276.7 °C; (20)Enthalpy of Vaporization: 88.49 kJ/mol; (21)Boiling Point: 593.5 °C at 760 mmHg; (22)Vapour Pressure: 4.66E-14 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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