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benzyl ethyl ether C9H12O structure – Flashcards

Flashcard maker : Brad Bledsoe

Contents

Experimental Boiling Point:
Experimental Refraction Index:
Appearance:
Safety:
Retention Index (Kovats):
Retention Index (Normal Alkane):
Retention Index (Linear):

Molecular Formula	C₉H₁₂O
Average mass	136.191 Da
Density	0.9±0.1 g/cm³
Boiling Point	185.0±0.0 °C at 760 mmHg
Flash Point	52.9±6.4 °C
Molar Refractivity	42.2±0.3 cm³
Polarizability	16.7±0.5 10^-24cm³
Surface Tension	31.3±3.0 dyne/cm
Molar Volume	145.1±3.0 cm³

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

Experimental Physico-chemical Properties
- Experimental Boiling Point:
  
  186-187 °C Food and Agriculture Organization of the United Nations (Ethoxymethyl)benzene
  
  18 °C / 78 mmHg (82.5041 °C / 760 mmHg)
  FooDB FDB003369
- Experimental Refraction Index:
  
  1.493-1.498 Food and Agriculture Organization of the United Nations (Ethoxymethyl)benzene
  
  20 FooDB FDB003369
Miscellaneous
- Appearance:
  
  colourless oily liquid with a powerful, fruity, rather sharp aroma Food and Agriculture Organization of the United Nations (Ethoxymethyl)benzene
- Safety:
  
  IRRITANT Matrix Scientific 058479

Gas Chromatography

Retention Index (Kovats):

1068 (estimated with error: 68) NIST Spectra mainlib_3369, replib_63589

1047.9 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.5 mm; Column length: 12 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 70 C; End T: 250 C; End time: 15 min; CAS no: 539300; Active phase: Methyl Silicone; Data type: Kovats RI; Authors: Rao, A.S.; Rajanikanth, B.; Seshadri, R., Volatile aroma components of Curcuma amada Roxb., J. Agric. Food Chem., 37(3), 1989, 740-743.) NIST Spectra nist ri

1421 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.23 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 80 C; End T: 200 C; CAS no: 539300; Active phase: Carbowax 20M; Data type: Kovats RI; Authors: Toda, H.; Mihara, S.; Umano, K.; Shibamoto, T., Photochemical studies on jasmin oil, J. Agric. Food Chem., 31, 1983, 554-558.) NIST Spectra nist ri

1424 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.23 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 80 C; End T: 200 C; CAS no: 539300; Active phase: Carbowax 20M; Data type: Kovats RI; Authors: Toda, H.; Mihara, S.; Umano, K.; Shibamoto, T., Photochemical studies on jasmin oil, J. Agric. Food Chem., 31, 1983, 554-558.) NIST Spectra nist ri

Retention Index (Normal Alkane):

1046 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 539300; 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

1439 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column type: Capillary; CAS no: 539300; 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

Retention Index (Linear):

1039.5 (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: 539300; 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:	185.0±0.0 °C at 760 mmHg
Vapour Pressure:	1.0±0.3 mmHg at 25°C
Enthalpy of Vaporization:	40.4±3.0 kJ/mol
Flash Point:	52.9±6.4 °C
Index of Refraction:	1.493
Molar Refractivity:	42.2±0.3 cm³
#H bond acceptors:	1
#H bond donors:	0
#Freely Rotating Bonds:	3
#Rule of 5 Violations:	0

ACD/LogP:	2.49
ACD/LogD (pH 5.5):	2.44
ACD/BCF (pH 5.5):	42.38
ACD/KOC (pH 5.5):	508.60
ACD/LogD (pH 7.4):	2.44
ACD/BCF (pH 7.4):	42.38
ACD/KOC (pH 7.4):	508.60
Polar Surface Area:	9 Å²
Polarizability:	16.7±0.5 10^-24cm³
Surface Tension:	31.3±3.0 dyne/cm
Molar Volume:	145.1±3.0 cm³

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benzyl ethyl ether C9H12O structure – Flashcards

Experimental Boiling Point:

Experimental Refraction Index:

Appearance:

Safety:

Retention Index (Kovats):

Retention Index (Normal Alkane):

Retention Index (Linear):

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