Home Page Flashcards 3-Methylanisole C8H10O structure - Flashcards

3-Methylanisole C8H10O structure – Flashcards

Flashcard maker : Ruth Blanco

Contents

Experimental Melting Point:
Experimental Boiling Point:
Experimental Flash Point:
Experimental Gravity:
Experimental Refraction Index:
Experimental Solubility:
Appearance:
Stability:
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	172.2±9.0 °C at 760 mmHg
Flash Point	54.4±0.0 °C
Molar Refractivity	37.8±0.3 cm³
Polarizability	15.0±0.5 10^-24cm³
Surface Tension	29.2±3.0 dyne/cm
Molar Volume	129.7±3.0 cm³

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

Experimental Physico-chemical Properties

Experimental Melting Point:

-47 °C Jean-Claude Bradley Open Melting Point Dataset 26774

Experimental Boiling Point:

175-176 °C Alfa Aesar

175-176 °C Oxford University Chemical Safety Data (No longer updated) More details

175-176 °C Alfa Aesar B21455

175-180 °C SynQuest 60128, 2707-1-X0

175-176 °C (Literature) LabNetwork LN00226138

Experimental Flash Point:

54 °C Alfa Aesar

54 °C Oxford University Chemical Safety Data (No longer updated) More details

54 °C Alfa Aesar

54 °F (12.2222 °C)
Alfa Aesar B21455

54 °C SynQuest 60128, 2707-1-X0

54 °C LabNetwork LN00226138

Experimental Gravity:

0.969 g/mL Alfa Aesar B21455

0.969 g/mL SynQuest 2707-1-X0
Experimental Refraction Index:

1.513 Alfa Aesar B21455
Experimental Solubility:

.; Stable. Flammable. Incompatible with strong oxidizing agents. Indofine
[CS-726]

Miscellaneous

Appearance:

colourless liquid Oxford University Chemical Safety Data (No longer updated) More details
Stability:

Stable. Flammable. Incompatible with strong oxidizing agents. Oxford University Chemical Safety Data (No longer updated) More details

Safety:

10 Alfa Aesar B21455

23 Alfa Aesar B21455

3 Alfa Aesar B21455

CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar B21455

DANGER: FLAMMABLE, irritates skin and eyes Alfa Aesar B21455

Flammable/Harmful/Irritant SynQuest 2707-1-X0, 60128

GHS02; GHS07 Biosynth W-108936

H226 Alfa Aesar B21455

H226; H302 Biosynth W-108936

P261 Alfa Aesar B21455

Safety glasses, adequate ventilation. Oxford University Chemical Safety Data (No longer updated) More details

Warning Alfa Aesar B21455

Warning Biosynth W-108936

Gas Chromatography

Retention Index (Kovats):

983 (estimated with error: 68) NIST Spectra mainlib_228729, replib_39007

1029.6 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 100845; Active phase: Apiezon M; Substrate: Chromosorb W; Data type: Kovats RI; Authors: Jalali-Heravi, M.; Garkani-Nejad, Z., Prediction of gas chromatographic retention indices of some benzene derivatives, J. Chromatogr., 648, 1993, 389-393.) NIST Spectra nist ri

1020 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 100 C; CAS no: 100845; Active phase: Apiezon L; Substrate: Chromatone N AW DNCS; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri

1036 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column type: Packed; Start T: 150 C; CAS no: 100845; Active phase: Apiezon L; Substrate: Chromatone N AW DNCS; Data type: Kovats RI; Authors: Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192.) NIST Spectra nist ri

Retention Index (Normal Alkane):

1008.4 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 100 C; End T: 260 C; CAS no: 100845; Active phase: RTX-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Restek, Restek International, 1999 Product Guide, 1(1), 1999, 578-591, In original 578-591.) NIST Spectra nist ri

1001 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 80 C; End T: 260 C; CAS no: 100845; Active phase: Ultra-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Okumura, T., retention indices of environmental chemicals on methyl silicone capillary column, Journal of Environmental Chemistry (Japan), 1(2), 1991, 333-358.) NIST Spectra nist ri

1007.6 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 50 C; End T: 275 C; Start time: 2 min; CAS no: 100845; Active phase: DB-1; Carrier gas: He; Data type: Normal alkane RI; Authors: Ralph, J.; Hatfield, R.D., Pyrolisys-GC-MS Characterization of Forage Materials, J. Agric. Food Chem., 39, 1991, 1426-1437.) NIST Spectra nist ri

986 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 30 C; End T: 150 C; Start time: 4 min; CAS no: 100845; Active phase: BP-1; Carrier gas: Nitrogen; Phase thickness: 1.00 um; Data type: Normal alkane RI; Authors: Wilkins, C.K.; Scholl, S., Volatile metabolites of some barley storage molds, Internat. J. Food Microbiol., 8, 1989, 11-17.) NIST Spectra nist ri

1011 (Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Description: 35C(1min) =>4C/min =>175C =>10C/min =>260C; CAS no: 100845; Active phase: VB-5; Carrier gas: He; Phase thickness: 1 um; Data type: Normal alkane RI; Authors: Karlshoj, K.; Nielsen, P.V.; Larsen, T.O., Prediction of Penicillium expansum Spoilage and Patulin Concentration in Apples Used for Apple Juice Production by Electronic Nose Analysis, J. Agric. Food Chem., 55, 2007, 4289-4298.) NIST Spectra nist ri

1006 (Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column type: Capillary; Description: 50C =>3C/min =>200C(10min) =>10C/min => 290C(10min); CAS no: 100845; Active phase: HP-5; Carrier gas: He; Data type: Normal alkane RI; Authors: Splivallo, R.; Bossi, S.; Maffei, M.; Bonfante, P., Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction, Phytochemistry, 68, 2007, 2584-2598.) NIST Spectra nist ri

993.1 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 8 K/min; Start T: 40 C; End T: 250 C; End time: 10 min; Start time: 2 min; CAS no: 100845; Active phase: ZB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Mauriello, G.; Marino, R.; D’Auria, M.; Cerone, G.; Luigi Rana, G., Determination of volatile organic compounds from Truffles via SPME-GC-MS, J. Chromatogr. Sci., 42(6), 2004, 299-305.) NIST Spectra nist ri

1028 (Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column type: Capillary; Heat rate: 6 K/min; Start T: 35 C; End T: 200 C; Start time: 2 min; CAS no: 100845; Active phase: HP-5; Data type: Normal alkane RI; Authors: Larsen, T.O.; Frisvad, J.C., Characterization of volatile metabolites from 47 Penicillium taxa, Mycol. Res., 99(10), 1995, 1153-1166.) NIST Spectra nist ri

1432.9 (Program type: Complex; Column… (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Description: 40C=; 10C/min =;60C=; 3C/min =;200C (15min); CAS no: 100845; Active phase: Carbowax 20M; Carrier gas: He; Phase thickness: 0.2 um; Data type: Normal alkane RI; Authors: Diaz, P.; Ibanez, E.; Senorans, F.J.; Reglero, G., Truffle aroma characterization by headspace solid-phase microextraction, J. Chromatogr. A, 1017, 2003, 207-214.) NIST Spectra nist ri

1446.6 (Program type: Complex; Column… (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 50 m; Column type: Capillary; Description: 40C=; 10C/min =;60C=; 3C/min =;200C (15min); CAS no: 100845; Active phase: Carbowax 20M; Carrier gas: He; Phase thickness: 0.2 um; Data type: Normal alkane RI; Authors: Diaz, P.; Ibanez, E.; Senorans, F.J.; Reglero, G., Truffle aroma characterization by headspace solid-phase microextraction, J. Chromatogr. A, 1017, 2003, 207-214.) NIST Spectra nist ri

1430 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.64 mm; Column length: 150 m; Column type: Capillary; Heat rate: 1 K/min; Start T: 50 C; End T: 170 C; End time: 60 min; Start time: 10 min; CAS no: 100845; Active phase: Carbowax 20M; Carrier gas: He; Data type: Normal alkane RI; Authors: Seifert, R.M.; King, A.D., Jr., Identification of some volatile constituents of Aspergillus clavatus, J. Agric. Food Chem., 30, 1982, 786-790.) NIST Spectra nist ri

Retention Index (Linear):

999.1 (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: 100845; 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

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

Density:	0.9±0.1 g/cm³
Boiling Point:	172.2±9.0 °C at 760 mmHg
Vapour Pressure:	1.8±0.3 mmHg at 25°C
Enthalpy of Vaporization:	39.2±3.0 kJ/mol
Flash Point:	54.4±0.0 °C
Index of Refraction:	1.494
Molar Refractivity:	37.8±0.3 cm³
#H bond acceptors:	1
#H bond donors:	0
#Freely Rotating Bonds:	1
#Rule of 5 Violations:	0

ACD/LogP:	2.59
ACD/LogD (pH 5.5):	2.70
ACD/BCF (pH 5.5):	66.47
ACD/KOC (pH 5.5):	701.89
ACD/LogD (pH 7.4):	2.70
ACD/BCF (pH 7.4):	66.47
ACD/KOC (pH 7.4):	701.89
Polar Surface Area:	9 Å²
Polarizability:	15.0±0.5 10^-24cm³
Surface Tension:	29.2±3.0 dyne/cm
Molar Volume:	129.7±3.0 cm³

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3-Methylanisole C8H10O structure – Flashcards

Experimental Melting Point:

Experimental Boiling Point:

Experimental Flash Point:

Experimental Gravity:

Experimental Refraction Index:

Experimental Solubility:

Appearance:

Stability:

Safety:

Retention Index (Kovats):

Retention Index (Normal Alkane):

Retention Index (Linear):

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