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1,4-Diisopropoxybenzene

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Name

1,4-Diisopropoxybenzene

EINECS N/A
CAS No. 7495-78-5 Density 0.951 g/cm3
PSA 18.46000 LogP 3.26100
Solubility N/A Melting Point N/A
Formula C12H18O2 Boiling Point 264.8 °C at 760 mmHg
Molecular Weight 194.274 Flash Point 93 °C
Transport Information N/A Appearance oily light salmon-colored liquid
Safety Risk Codes R36/37/38
Molecular Structure Molecular Structure of 7495-78-5 (1,4-Diisopropoxybenzene) Hazard Symbols Xi
Synonyms

Benzene,p-diisopropoxy- (8CI);1,4-Diisopropoxybenzene;NSC 407768;p-Diisopropoxybenzene;

Article Data 3

1,4-Diisopropoxybenzene Specification

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

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