Density:1.13 at 70.5 °F (NTP, 1992) - Denser than water; will sink Boiling Point:399 to 403 °F at 760 mmHg (NTP, 1992) Melting Point:SOLIDIFIES at 82.4 °F (NTP, 1992) Flash Point:180 °F (NTP, 1992) Refractive index:Index of refraction: 1.5429 at 20 °C/D Solubility:Slight...
Density Functional Theory CalculationCrystal PackingThe title compound 4{E-[(2-fluorophenyl)imino]methyl}-2-methoxyphenol has been synthesized and characterized by using FTIR, 1 H and 13 C NMR spectroscopic, and X-ray crystallographic techniques experimentally and using B3LYP/6-31 G ( d , p ) ...
Aerosol yields (Y) were calculated from the ratio of the suspended aerosol mass concentration corrected for wall losses (M0), to the total reacted guaiacol concentration assuming a particle density of 1.4 g cm. The aerosol yield increases as the initial guaiacol concentration rises, leading to ...
Chemical Name3-butyl-2-methoxyphenol CAS No.1335-16-6 Molecular FormulaC11H16O2 Molecular Weight180.247 PSA29.5 ?2 PubChemID153929 View More1335-16-6 Properties Density1.014 Boiling Point271°C at 760 mmHg Flash Point108°C Vapour Pressure0.00398mmHg at 25°C Refractive index1.515Related...
density functional theoryorbital analysisIn the title complex, [Gd( L ) 2 (CHO 2 )(H 2 O) 3 ] ( L − = 4-formyl-2-methoxyphenolate anion, C 8 H 7 O 3 ), the Gd III ion occupies a site with mirror symmetry and assumes a bicapped triangular prismatic coordination ...
Density:N/A Refractive Index:N/A Storage Temp.:N/A Solubility:N/A CAS DataBase Reference:2-(3,7,11,15,19,23,27,31,35,39-Decamethyl-2,6,10,14,18,22,26,30,34,38-tetracontadecenyl)-6-methoxyphenol(CAS DataBase Reference)
Product Name2-fluoro-3-Methoxyphenol CAS447462-87-5 CBNumberCB32657034 MFC7H7FO2 MW142.13 MDL NumberMFCD11110186 MOL File447462-87-5.molChemical Properties Boiling point 222.0±20.0 °C(Predicted) Density 1.224±0.06 g/cm3(Predicted) pka 8.33±0.10(Predicted) form solid color off white FDA UNI...
The crystal structure of the compound, elucidated from single crystal X-ray diffraction analysis, was in good agreement with the calculated structure using Density functional theory (DFT) with B3LYP/6-311G(d,p) basis set of Gaussian 03 program. The physicochemical characterization of the title ...
The crystal structure of (E)-2-[(2-Bromophenylimino)methyl]-5-methoxyphenol is determined by using X-ray diffraction and then the molecular structure is investigated with density functional theory (DFT). X-Ray study shows that the title compound has a strong intramolecular O-H…N hydrogen ...
The compound's structure was optimized using Density Functional Theory (DFT) at B3LYP method with 6-311 G(d,p) basis set. The experimental parameters obtained by XRD were found to agree well with the theoretically calculated parameters. The title compo...