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Name |
1,3-Dibenzyloxybenzene |
EINECS | N/A |
CAS No. | 3769-42-4 | Density | 1.122 g/cm3 |
PSA | 18.46000 | LogP | 4.84460 |
Solubility | N/A | Melting Point |
71.0 to 76.0 °C |
Formula | C20H18O2 | Boiling Point | 440.3 °C at 760 mmHg |
Molecular Weight | 290.362 | Flash Point | 172.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,3-Bis(benzyloxy)benzene; |
Article Data | 12 |
The cas register number of 1,3-Dibenzyloxybenzene is 3769-42-4. It also can be called as Benzene,1,3-bis(phenylmethoxy)- and the Systematic name about this chemical is 1,3-bis(benzyloxy)benzene.
Physical properties about 1,3-Dibenzyloxybenzene are: (1)ACD/LogP: 5.24; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.24; (4)ACD/LogD (pH 7.4): 5.24; (5)ACD/BCF (pH 5.5): 5654.88; (6)ACD/BCF (pH 7.4): 5654.88; (7)ACD/KOC (pH 5.5): 16887.94; (8)ACD/KOC (pH 7.4): 16887.94; (9)#H bond acceptors: 2 ; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 18.46Å2; (12)Index of Refraction: 1.6; (13)Molar Refractivity: 88.58 cm3; (14)Molar Volume: 258.8 cm3; (15)Polarizability: 35.1x10-24cm3; (16)Surface Tension: 43.5 dyne/cm; (17)Enthalpy of Vaporization: 67.05 kJ/mol; (18)Vapour Pressure: 1.54E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c2cccc(OCc1ccccc1)c2)Cc3ccccc3
(2)InChI: InChI=1/C20H18O2/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-14H,15-16H2
(3)InChIKey: RESHZVQZWMQUMB-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C20H18O2/c1-3-8-17(9-4-1)15-21-19-12-7-13-20(14-19)22-16-18-10-5-2-6-11-18/h1-14H,15-16H2
(5)Std. InChIKey: RESHZVQZWMQUMB-UHFFFAOYSA-N