Home Page Flashcards 1-Ethyl-2-nitrobenzene C8H9NO2 structure - Flashcards

1-Ethyl-2-nitrobenzene C8H9NO2 structure – Flashcards

Flashcard maker : Sarah Adrian

Contents

Experimental Melting Point:
Experimental Flash Point:
Retention Index (Kovats):

Molecular Formula	C₈H₉NO₂
Average mass	151.163 Da
Density	1.1±0.1 g/cm³
Boiling Point	232.5±0.0 °C at 760 mmHg
Flash Point	86.9±11.5 °C
Molar Refractivity	42.3±0.3 cm³
Polarizability	16.8±0.5 10^-24cm³
Surface Tension	41.0±3.0 dyne/cm
Molar Volume	134.1±3.0 cm³

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

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  -12.3 °C Jean-Claude Bradley Open Melting Point Dataset 26955
  
  -13 °C LabNetwork LN00239933
- Experimental Flash Point:
  
  228 °C LabNetwork LN00239933

Gas Chromatography

Retention Index (Kovats):

1289 (estimated with error: 83) NIST Spectra mainlib_227550, replib_72132, replib_163401

1283 (Program type: Isothermal; Col… (show more) umn class: Semi-standard non-polar; Column length: 2 m; Column type: Packed; Start T: 200 C; CAS no: 612226; Active phase: Apiezon L; Carrier gas: He; Substrate: Silanized white support; Data type: Kovats RI; Authors: Vernon, F.; Suratman, J.B., The retention index system applied to alkylbenzenes and monosubstituted derivatives, Chromatographia, 17(11), 1983, 600-604.) NIST Spectra nist ri

1910 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column length: 2 m; Column type: Packed; Start T: 200 C; CAS no: 612226; Active phase: Carbowax 20M; Carrier gas: He; Substrate: Silanized white support; Data type: Kovats RI; Authors: Vernon, F.; Suratman, J.B., The retention index system applied to alkylbenzenes and monosubstituted derivatives, Chromatographia, 17(11), 1983, 600-604.) NIST Spectra nist ri

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

Density:	1.1±0.1 g/cm³
Boiling Point:	232.5±0.0 °C at 760 mmHg
Vapour Pressure:	0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization:	45.0±3.0 kJ/mol
Flash Point:	86.9±11.5 °C
Index of Refraction:	1.544
Molar Refractivity:	42.3±0.3 cm³
#H bond acceptors:	3
#H bond donors:	0
#Freely Rotating Bonds:	2
#Rule of 5 Violations:	0

ACD/LogP:	2.94
ACD/LogD (pH 5.5):	2.81
ACD/BCF (pH 5.5):	80.24
ACD/KOC (pH 5.5):	803.09
ACD/LogD (pH 7.4):	2.81
ACD/BCF (pH 7.4):	80.24
ACD/KOC (pH 7.4):	803.09
Polar Surface Area:	46 Å²
Polarizability:	16.8±0.5 10^-24cm³
Surface Tension:	41.0±3.0 dyne/cm
Molar Volume:	134.1±3.0 cm³

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1-Ethyl-2-nitrobenzene C8H9NO2 structure – Flashcards

Experimental Melting Point:

Experimental Flash Point:

Retention Index (Kovats):

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