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85068-49-1

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Basic Information
CAS No.: 85068-49-1
Name: bis(2-ethoxyphenyl) carbonate
Molecular Structure:
Molecular Structure of 85068-49-1 (bis(2-ethoxyphenyl) carbonate)
Formula: C17H18O5
Molecular Weight: 302.327
Synonyms: Bis(2-ethoxyphenyl) carbonate;Carbonic acid bis(2-ethoxyphenyl) ester;
EINECS: 285-309-0
Density: 1.162 g/cm3
Boiling Point: 417.9 °C at 760 mmHg
Flash Point: 183.6 °C
PSA: 53.99000
LogP: 4.06180
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Specification

The Phenol,2-ethoxy-, carbonate (2:1) (9CI), with the CAS registry number 85068-49-1, is also known as Carbonic acid bis(2-ethoxyphenyl) ester. This chemical's molecular formula is C17H18O5 and molecular weight is 302.32. What's more, its systematic name is Bis(2-ethoxyphenyl) carbonate and its EINECS number is 285-309-0.

Physical properties of Phenol,2-ethoxy-, carbonate (2:1) (9CI) are: (1)ACD/LogP: 3.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.47; (4)ACD/LogD (pH 7.4): 3.47; (5)ACD/BCF (pH 5.5): 256.03; (6)ACD/BCF (pH 7.4): 256.03; (7)ACD/KOC (pH 5.5): 1842.73; (8)ACD/KOC (pH 7.4): 1842.73; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 81.83 cm3; (15)Molar Volume: 259.9 cm3; (16)Polarizability: 32.44×10-24 cm3; (17)Surface Tension: 40 dyne/cm; (18)Density: 1.162 g/cm3; (19)Flash Point: 183.6 °C; (20)Enthalpy of Vaporization: 67.13 kJ/mol; (21)Boiling Point: 417.9 °C at 760 mmHg; (22)Vapour Pressure: 3.42E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC1=CC=CC=C1OC(=O)OC2=CC=CC=C2OCC
(2)InChI: InChI=1S/C17H18O5/c1-3-19-13-9-5-7-11-15(13)21-17(18)22-16-12-8-6-10-14(16)20-4-2/h5-12H,3-4H2,1-2H3
(3)InChIKey: LTAICIIOZBYBTN-UHFFFAOYSA-N