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m-nitroanisole C7H7NO3 structure – Flashcards

Flashcard maker : Richard Molina

Contents

Experimental Melting Point:
Experimental Flash Point:
Safety:
Retention Index (Kovats):
Retention Index (Lee):
Retention Index (Normal Alkane):
Retention Index (Linear):

Molecular Formula	C₇H₇NO₃
Average mass	153.135 Da
Density	1.2±0.1 g/cm³
Boiling Point	256.3±13.0 °C at 760 mmHg
Flash Point	127.9±21.8 °C
Molar Refractivity	39.5±0.3 cm³
Polarizability	15.6±0.5 10^-24cm³
Surface Tension	42.3±3.0 dyne/cm
Molar Volume	125.3±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  32-35 °C Merck Millipore 3569, 820882
  
  38 °C Jean-Claude Bradley Open Melting Point Dataset 13996
  
  38.5 °C Jean-Claude Bradley Open Melting Point Dataset 26966
- Experimental Flash Point:
  
  36 °C TCI N0124
Miscellaneous
- Safety:
  
  GHS07 Biosynth W-105559
  
  H302 Biosynth W-105559
  
  Warning Biosynth W-105559

Gas Chromatography

Retention Index (Kovats):

1265 (estimated with error: 89) NIST Spectra mainlib_118574, replib_228553, replib_24619

Retention Index (Lee):

228 (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: 5 K/min; Start T: 50 C; End T: 280 C; End time: 10 min; Start time: 5 min; CAS no: 555033; Active phase: HP5-MS; Carrier gas: Helium; Phase thickness: 0.25 um; Data type: Lee RI; Authors: Vrana, B.; Paschke, H.; Paschke, A.; Popp, P.; Schuurmann, G., Performance of semipermeable membrane devices for sampling of organic contaminants in groun water, J. Envirom. Monit., 7, 2005, 500-508.) NIST Spectra nist ri

Retention Index (Normal Alkane):

1273 (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: 555033; 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

Retention Index (Linear):

1346.1 (Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: Multi-step temperature program; T(initial)=60C; T(final)=270C; CAS no: 555033; Active phase: VF-5MS; Carrier gas: He; Phase thickness: 0.25 um; Data type: Linear RI; Authors: Tret’yakov, K.V., Retention Data. NIST Mass Spectrometry Data Center., 2007.) NIST Spectra nist ri

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

Density:	1.2±0.1 g/cm³
Boiling Point:	256.3±13.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization:	47.4±3.0 kJ/mol
Flash Point:	127.9±21.8 °C
Index of Refraction:	1.543
Molar Refractivity:	39.5±0.3 cm³
#H bond acceptors:	4
#H bond donors:	0
#Freely Rotating Bonds:	2
#Rule of 5 Violations:	0

ACD/LogP:	2.17
ACD/LogD (pH 5.5):	2.08
ACD/BCF (pH 5.5):	22.42
ACD/KOC (pH 5.5):	322.39
ACD/LogD (pH 7.4):	2.08
ACD/BCF (pH 7.4):	22.42
ACD/KOC (pH 7.4):	322.39
Polar Surface Area:	55 Å²
Polarizability:	15.6±0.5 10^-24cm³
Surface Tension:	42.3±3.0 dyne/cm
Molar Volume:	125.3±3.0 cm³

Click to predict properties on the Chemicalize site

m-nitroanisole C7H7NO3 structure – Flashcards

Experimental Melting Point:

Experimental Flash Point:

Safety:

Retention Index (Kovats):

Retention Index (Lee):

Retention Index (Normal Alkane):

Retention Index (Linear):

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