Home Page Flashcards Ethyl 4-chlorobenzoate C9H9ClO2 structure - Flashcards

Ethyl 4-chlorobenzoate C9H9ClO2 structure – Flashcards

Flashcard maker : Kenneth Miller

Contents

Experimental Boiling Point:
Experimental LogP:
Experimental Flash Point:
Experimental Gravity:
Experimental Refraction Index:
Appearance:
Safety:
Retention Index (Kovats):
Retention Index (Linear):

Molecular Formula	C₉H₉ClO₂
Average mass	184.620 Da
Density	1.2±0.1 g/cm³
Boiling Point	238.1±13.0 °C at 760 mmHg
Flash Point	107.2±15.3 °C
Molar Refractivity	47.6±0.3 cm³
Polarizability	18.9±0.5 10^-24cm³
Surface Tension	38.4±3.0 dyne/cm
Molar Volume	155.8±3.0 cm³

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

Experimental Physico-chemical Properties
- Experimental Boiling Point:
  
  237-239 °C Alfa Aesar
  
  237-239 °C Alfa Aesar A12540
  
  237-239 °C LabNetwork LN00009894
- Experimental LogP:
  
  3.292 Vitas-M STL146558
- Experimental Flash Point:
  
  107.2 °C LabNetwork LN00009894
- Experimental Gravity:
  
  1.18 g/mL Alfa Aesar A12540
- Experimental Refraction Index:
  
  1.524 Alfa Aesar A12540

Miscellaneous

Appearance:

Not Available Novochemy
[NC-06278]

Safety:

20/21/22 Novochemy
[NC-06278]

20/21/36/37/39 Novochemy
[NC-06278]

CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar A12540

GHS07; GHS09 Novochemy
[NC-06278]

H332; H403 Novochemy
[NC-06278]

P332+P313; P305+P351+P338 Novochemy
[NC-06278]

Warning Novochemy
[NC-06278]

Xn Novochemy
[NC-06278]

Gas Chromatography

Retention Index (Kovats):

1318 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column type: Capillary; Start T: 140 C; CAS no: 7335275; Active phase: SE-30; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLI. Ethyl and .omega.-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 325, 1985, 433-443.) NIST Spectra nist ri

1323 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column type: Capillary; Start T: 160 C; CAS no: 7335275; Active phase: SE-30; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLI. Ethyl and .omega.-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 325, 1985, 433-443.) NIST Spectra nist ri

1336 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column type: Capillary; Start T: 180 C; CAS no: 7335275; Active phase: SE-30; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLI. Ethyl and .omega.-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 325, 1985, 433-443.) NIST Spectra nist ri

1324 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Start T: 160 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri

1331 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Start T: 180 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri

1340 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column diameter: 0.33 mm; Column length: 25 m; Column type: Capillary; Start T: 200 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra mainlib_343057, replib_119791, replib_280367, nist ri

1327 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 3 m; Column type: Packed; Start T: 180 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Substrate: Chromosorb A AW; Data type: Kovats RI; Authors: Oszczapowicz, J.; Osek, J.; Ciszkowski, K.; Krawczyk, W.; Ostrowski, M., Retention Indices of Dimethylbenzamidines and Benzylideneamines on a Non-Polar Column, J. Chromatogr., 330, 1985, 79-85.) NIST Spectra nist ri

1885 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 160 C; CAS no: 7335275; Active phase: OV-351; Carrier gas: N2; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri

1893 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 180 C; CAS no: 7335275; Active phase: OV-351; Carrier gas: N2; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri

1917 (Program type: Isothermal; Col… (show more) umn class: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Start T: 200 C; CAS no: 7335275; Active phase: OV-351; Carrier gas: N2; Data type: Kovats RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri

Retention Index (Linear):

1306 (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: 2 K/min; Start T: 100 C; End T: 320 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 6 K/min; Start T: 100 C; End T: 280 C; CAS no: 7335275; Active phase: SE-30; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLI. Ethyl and .omega.-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 325, 1985, 433-443.) NIST Spectra nist ri

1316 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 10 K/min; Start T: 100 C; End T: 280 C; CAS no: 7335275; Active phase: SE-30; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLI. Ethyl and .omega.-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 325, 1985, 433-443.) NIST Spectra nist ri

1317 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 2 K/min; Start T: 100 C; End T: 280 C; CAS no: 7335275; Active phase: SE-30; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XLI. Ethyl and .omega.-chloroethyl esters of benzoic and monochlorobenzoic acids on SE-30 and OV-351 capillary columns, J. Chromatogr., 325, 1985, 433-443.) NIST Spectra nist ri

1315 (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: 6 K/min; Start T: 100 C; End T: 320 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri

1320 (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: 10 K/min; Start T: 100 C; End T: 320 C; CAS no: 7335275; Active phase: SE-30; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri

1830 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 100 C; End T: 230 C; CAS no: 7335275; Active phase: OV-351; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri

1849 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 100 C; End T: 230 C; CAS no: 7335275; Active phase: OV-351; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) NIST Spectra nist ri

1863 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.32 mm; Column length: 25 m; Column type: Capillary; Heat rate: 10 K/min; Start T: 100 C; End T: 230 C; CAS no: 7335275; Active phase: OV-351; Carrier gas: N2; Data type: Linear RI; Authors: Korhonen, I.O.O.; Lind, M.A., Gas-liquid chromatographic analyses. XXXV. Capillary column studies of C1-C12 n-alkyl esters of benzoic and monochlorobenzoic acids, J. Chromatogr., 322, 1985, 83-96.) 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:	238.1±13.0 °C at 760 mmHg
Vapour Pressure:	0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization:	47.5±3.0 kJ/mol
Flash Point:	107.2±15.3 °C
Index of Refraction:	1.523
Molar Refractivity:	47.6±0.3 cm³
#H bond acceptors:	2
#H bond donors:	0
#Freely Rotating Bonds:	3
#Rule of 5 Violations:	0

ACD/LogP:	3.29
ACD/LogD (pH 5.5):	2.99
ACD/BCF (pH 5.5):	110.04
ACD/KOC (pH 5.5):	1006.82
ACD/LogD (pH 7.4):	2.99
ACD/BCF (pH 7.4):	110.04
ACD/KOC (pH 7.4):	1006.82
Polar Surface Area:	26 Å²
Polarizability:	18.9±0.5 10^-24cm³
Surface Tension:	38.4±3.0 dyne/cm
Molar Volume:	155.8±3.0 cm³

Click to predict properties on the Chemicalize site

1-Click Docking
1-Click Scaffold Hop

Ethyl 4-chlorobenzoate C9H9ClO2 structure – Flashcards

Experimental Boiling Point:

Experimental LogP:

Experimental Flash Point:

Experimental Gravity:

Experimental Refraction Index:

Appearance:

Safety:

Retention Index (Kovats):

Retention Index (Linear):

Haven't found what you were looking for?

Search for samples, answers to your questions and flashcards