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5182-36-5

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Basic Information
CAS No.: 5182-36-5
Name: FLOROPAL
Article Data: 6
Molecular Structure:
Molecular Structure of 5182-36-5 (FLOROPAL)
Formula: C13H18O2
Molecular Weight: 206.285
Synonyms: 4-Phenyl-2,4,6-trimethyl-1,3-dioxane;
EINECS: 225-963-6
Density: 0.977 g/cm3
Boiling Point: 278.7 °C at 760 mmHg
Flash Point: 128.3 °C
PSA: 67.63000
LogP: 2.56078
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Specification

The 1,3-Dioxane,2,4,6-trimethyl-4-phenyl-, with the CAS registry number 5182-36-5, is also known as 4-Phenyl-2,4,6-trimethyl-1,3-dioxane. Its EINECS registry number is 225-963-6. This chemical's molecular formula is C13H18O2 and molecular weight is 206.2808. What's more, its IUPAC name is 2,4,6-Trimethyl-4-phenyl-1,3-dioxane.

Physical properties about 1,3-Dioxane,2,4,6-trimethyl-4-phenyl- are: (1)ACD/LogP: 3.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.12; (4)ACD/LogD (pH 7.4): 3.12; (5)ACD/BCF (pH 5.5): 139.28; (6)ACD/BCF (pH 7.4): 139.28; (7)ACD/KOC (pH 5.5): 1191.78; (8)ACD/KOC (pH 7.4): 1191.78; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 60.13 cm3; (15)Molar Volume: 211.1 cm3; (16)Polarizability: 23.83×10-24 cm3; (17)Surface Tension: 32.7 dyne/cm; (18)Density: 0.977 g/cm3; (19)Flash Point: 128.3 °C; (20)Enthalpy of Vaporization: 49.66 kJ/mol; (21)Boiling Point: 278.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00709 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O1C(C)CC(OC1C)(c2ccccc2)C
(2) InChI: InChI=1/C13H18O2/c1-10-9-13(3,15-11(2)14-10)12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3
(3) InChIKey: IEZPIUQRQRWIFE-UHFFFAOYAA