Benzene,1,4-bis(1-methylethoxy)- (7495-78-5)

The 1,4-Diisopropoxybenzene, with the CAS registry number 7495-78-5, is also known as Benzene, 1,4-bis(1-methylethoxy)-. It belongs to the product category of Benzene Derivates. This chemical's molecular formula is C₁₂H₁₈O₂ and formula weight is 194.27. What's more, both its IUPAC name and systematic name are the same which is called 1,4-Bis(propan-2-yloxy)benzene. This chemical is oily light salmon-colored liquid.

Physical properties about this chemical are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.86; (4)ACD/LogD (pH 7.4): 3.86; (5)ACD/BCF (pH 5.5): 502.28; (6)ACD/BCF (pH 7.4): 502.28; (7)ACD/KOC (pH 5.5): 2984.97; (8)ACD/KOC (pH 7.4): 2984.97; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.48; (14)Molar Refractivity: 58.05 cm³; (15)Molar Volume: 204.2 cm³; (16)Surface Tension: 29.1 dyne/cm; (17)Density: 0.951 g/cm³; (18)Flash Point: 93 °C; (19)Enthalpy of Vaporization: 48.24 kJ/mol; (20)Boiling Point: 264.8 °C at 760 mmHg; (21)Vapour Pressure: 0.0156 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccc(OC(C)C)cc1)C(C)C
(2)InChI: InChI=1/C12H18O2/c1-9(2)13-11-5-7-12(8-6-11)14-10(3)4/h5-10H,1-4H3
(3)InChIKey: HXINKONAVYDDKZ-UHFFFAOYAZ