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benzyl methyl ether C8H10O structure – Flashcards

Flashcard maker : Ruth Blanco

Contents

Experimental Melting Point:
Experimental Boiling Point:
Experimental LogP:
Experimental Flash Point:
Experimental Gravity:
Safety:
Retention Index (Kovats):
Retention Index (Normal Alkane):
Retention Index (Linear):

Molecular Formula	C₈H₁₀O
Average mass	122.164 Da
Density	0.9±0.1 g/cm³
Boiling Point	174.0±0.0 °C at 760 mmHg
Flash Point	36.4±6.4 °C
Molar Refractivity	37.5±0.3 cm³
Polarizability	14.9±0.5 10^-24cm³
Surface Tension	31.0±3.0 dyne/cm
Molar Volume	128.6±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon
Predicted – Mcule

Experimental Physico-chemical Properties

Experimental Melting Point:

-53 °C Alfa Aesar

-52 °C Jean-Claude Bradley Open Melting Point Dataset 13559

-52.6 °C Jean-Claude Bradley Open Melting Point Dataset 26962

-53 °C Jean-Claude Bradley Open Melting Point Dataset 6490

-53 °C Alfa Aesar B23490

Experimental Boiling Point:

173-175 °C Alfa Aesar

173-175 °C Alfa Aesar B23490

74-77 °C / 30 mm (180.6714-184.5072 °C / 760 mmHg)
LabNetwork LN00194111
Experimental LogP:

1.957 Vitas-M STL146573
Experimental Flash Point:

56 °C Alfa Aesar

56 °C Alfa Aesar

56 °F (13.3333 °C)
Alfa Aesar B23490

56 °C LabNetwork LN00194111
Experimental Gravity:

0.94 g/mL Alfa Aesar B23490

0.987 g/mL Fluorochem

0.987 g/l Fluorochem 107300

Miscellaneous

Safety:

3 Alfa Aesar B23490

DANGER: FLAMMABLE, irritates skin and eyes Alfa Aesar B23490

H226 Alfa Aesar B23490

Irritant SynQuest 2707-1-27

P210-P280-P240-P303+P361+P353-P403+P235-P501a Alfa Aesar B23490

Warning Alfa Aesar B23490

Gas Chromatography

Retention Index (Kovats):

969 (estimated with error: 68) NIST Spectra mainlib_135294, replib_20534, replib_62159, replib_230023

Retention Index (Normal Alkane):

981 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 538863; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri

973 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 538863; Active phase: Polydimethyl siloxanes; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Chupalov, A.A., New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments, Zh. Org. Khim. (Rus.), 32(5), 1996, 656-666, In original 656-666.) NIST Spectra nist ri

1391 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column type: Capillary; CAS no: 538863; Active phase: Carbowax 20M; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri

1377 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 30 C; End T: 170 C; End time: 30 min; Start time: 4 min; CAS no: 538863; Active phase: DB-Wax; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Buttery, R.G.; Light, D.M.; Nam, Y.; Merrill, G.B.; Roitman, J.N., Volatile components of green walnut husks, J. Agric. Food Chem., 48, 2000, 2858-2861.) NIST Spectra nist ri

Retention Index (Linear):

966.1 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 8 K/min; Start T: 35 C; End T: 300 C; CAS no: 538863; Active phase: OV-1; Data type: Linear RI; Authors: Gautzsch, R.; Zinn, P., Use of incremental models to estimate the retention indexes of aromatic compounds, Chromatographia, 43(3/4), 1996, 163-176.) NIST Spectra nist ri

984 (Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 40C(5min)=>2C/min=>220C=>5C/min=>250C(15min); CAS no: 538863; Active phase: DB-5; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Boulanger, R.; Chassagne, D.; Crouzet, J., Free and bound flavour components of amazonian fruits. 1: Bacuri, Flavour Fragr. J., 14, 1999, 303-311.) NIST Spectra nist ri

1400 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.75 mm; Column length: 150 m; Column type: Capillary; CAS no: 538863; Active phase: Carbowax 20M; Data type: Linear RI; Authors: Whitfield, F.B.; Shea, S.R.; Gillen, K.J.; Shaw, K.J., Volatile components from the roots of Acacia pulchella R.Br. and their effect on Phytophthora cinnamomi rands, Aust. J. Bot., 29, 1981, 195-208.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density:	0.9±0.1 g/cm³
Boiling Point:	174.0±0.0 °C at 760 mmHg
Vapour Pressure:	1.7±0.3 mmHg at 25°C
Enthalpy of Vaporization:	39.3±3.0 kJ/mol
Flash Point:	36.4±6.4 °C
Index of Refraction:	1.496
Molar Refractivity:	37.5±0.3 cm³
#H bond acceptors:	1
#H bond donors:	0
#Freely Rotating Bonds:	2
#Rule of 5 Violations:	0

ACD/LogP:	1.96
ACD/LogD (pH 5.5):	2.13
ACD/BCF (pH 5.5):	24.25
ACD/KOC (pH 5.5):	341.04
ACD/LogD (pH 7.4):	2.13
ACD/BCF (pH 7.4):	24.25
ACD/KOC (pH 7.4):	341.04
Polar Surface Area:	9 Å²
Polarizability:	14.9±0.5 10^-24cm³
Surface Tension:	31.0±3.0 dyne/cm
Molar Volume:	128.6±3.0 cm³

Click to predict properties on the Chemicalize site

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benzyl methyl ether C8H10O structure – Flashcards

Experimental Melting Point:

Experimental Boiling Point:

Experimental LogP:

Experimental Flash Point:

Experimental Gravity:

Safety:

Retention Index (Kovats):

Retention Index (Normal Alkane):

Retention Index (Linear):

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