Essay on Partition Coefficient

Dodecane C12H26 structure

Molecular Formula C12H26 Average mass 170.335 Da Density 0.8±0.1 g/cm3 Boiling Point 216.1±3.0 °C at 760 mmHg Flash Point 71.1±0.0 °C Molar Refractivity 57.6±0.3 cm3 Polarizability 22.9±0.5 10-24cm3 Surface Tension 25.6±3.0 dyne/cm Molar Volume 226.6±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Dihydropyran C5H8O structure

Molecular Formula C5H8O Average mass 84.116 Da Density 0.9±0.1 g/cm3 Boiling Point 86.5±0.0 °C at 760 mmHg Flash Point -15.6±0.0 °C Molar Refractivity 24.3±0.3 cm3 Polarizability 9.6±0.5 10-24cm3 Surface Tension 32.2±3.0 dyne/cm Molar Volume 90.8±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Hexane C6H14 structure

Molecular Formula C6H14 Average mass 86.175 Da Density 0.7±0.1 g/cm3 Boiling Point 68.5±3.0 °C at 760 mmHg Flash Point -23.3±0.0 °C Molar Refractivity 29.8±0.3 cm3 Polarizability 11.8±0.5 10-24cm3 Surface Tension 20.3±3.0 dyne/cm Molar Volume 127.6±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Styrene oxide C8H8O structure

Molecular Formula C8H8O Average mass 120.148 Da Density 1.1±0.1 g/cm3 Boiling Point 193.9±9.0 °C at 760 mmHg Flash Point 79.4±0.0 °C Molar Refractivity 35.3±0.3 cm3 Polarizability 14.0±0.5 10-24cm3 Surface Tension 43.2±3.0 dyne/cm Molar Volume 108.5±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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2-tert-Butylphenol C10H14O structure

Molecular Formula C10H14O Average mass 150.218 Da Density 1.0±0.1 g/cm3 Boiling Point 221.0±0.0 °C at 760 mmHg Flash Point 98.9±8.2 °C Molar Refractivity 46.5±0.3 cm3 Polarizability 18.4±0.5 10-24cm3 Surface Tension 33.0±3.0 dyne/cm Molar Volume 154.6±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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9,10-phenanthraquinone C14H8O2 structure

Molecular Formula C14H8O2 Average mass 208.212 Da Density 1.3±0.1 g/cm3 Boiling Point 360.0±0.0 °C at 760 mmHg Flash Point 163.1±4.4 °C Molar Refractivity 58.7±0.3 cm3 Polarizability 23.3±0.5 10-24cm3 Surface Tension 55.8±3.0 dyne/cm Molar Volume 159.1±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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2-methylbut-2-enoic acid C5H8O2 structure

Molecular Formula C5H8O2 Average mass 100.116 Da Density 1.0±0.1 g/cm3 Boiling Point 198.5±0.0 °C at 760 mmHg Flash Point 95.9±9.6 °C Molar Refractivity 26.7±0.3 cm3 Polarizability 10.6±0.5 10-24cm3 Surface Tension 32.3±3.0 dyne/cm Molar Volume 99.1±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Gas Chromatography Retention Index (Normal […]

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monomethylhydrazine CH6N2 structure

Molecular Formula CH6N2 Average mass 46.072 Da Density 0.8±0.1 g/cm3 Boiling Point 87.5±9.0 °C at 760 mmHg Flash Point 21.1±0.0 °C Molar Refractivity 13.8±0.3 cm3 Polarizability 5.5±0.5 10-24cm3 Surface Tension 25.2±3.0 dyne/cm Molar Volume 57.5±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Hexachloropropene C3Cl6 structure

Molecular Formula C3Cl6 Average mass 248.750 Da Density 1.8±0.1 g/cm3 Boiling Point 209.5±0.0 °C at 760 mmHg Flash Point 69.9±23.3 °C Molar Refractivity 44.8±0.3 cm3 Polarizability 17.7±0.5 10-24cm3 Surface Tension 42.7±3.0 dyne/cm Molar Volume 139.6±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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2-Methylheptadecane C18H38 structure

Molecular Formula C18H38 Average mass 254.494 Da Density 0.8±0.1 g/cm3 Boiling Point 304.9±5.0 °C at 760 mmHg Flash Point 108.9±10.8 °C Molar Refractivity 85.4±0.3 cm3 Polarizability 33.9±0.5 10-24cm3 Surface Tension 27.4±3.0 dyne/cm Molar Volume 326.0±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: 6 °C […]

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metoclopramide C14H22ClN3O2 structure

Molecular Formula C14H22ClN3O2 Average mass 299.796 Da Density 1.2±0.1 g/cm3 Boiling Point 418.7±45.0 °C at 760 mmHg Flash Point 207.0±28.7 °C Molar Refractivity 82.6±0.3 cm3 Polarizability 32.7±0.5 10-24cm3 Surface Tension 43.8±3.0 dyne/cm Molar Volume 257.8±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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2,2′-Bipyridine C10H8N2 structure

Molecular Formula C10H8N2 Average mass 156.184 Da Density 1.1±0.1 g/cm3 Boiling Point 272.5±0.0 °C at 760 mmHg Flash Point 107.2±12.0 °C Molar Refractivity 47.0±0.3 cm3 Polarizability 18.6±0.5 10-24cm3 Surface Tension 46.7±3.0 dyne/cm Molar Volume 141.2±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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3,5-Dichlorobiphenyl C12H8Cl2 structure

Molecular Formula C12H8Cl2 Average mass 223.098 Da Density 1.2±0.1 g/cm3 Boiling Point 323.7±22.0 °C at 760 mmHg Flash Point 149.7±15.9 °C Molar Refractivity 60.6±0.3 cm3 Polarizability 24.0±0.5 10-24cm3 Surface Tension 41.1±3.0 dyne/cm Molar Volume 178.6±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Gas Chromatography Retention Index (Kovats): 1727 (estimated with […]

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TERT-BUTYLTOLUENE C11H16 structure

Molecular Formula C11H16 Average mass 148.245 Da Density 0.9±0.1 g/cm3 Boiling Point 190.3±10.0 °C at 760 mmHg Flash Point 61.4±7.1 °C Molar Refractivity 49.5±0.3 cm3 Polarizability 19.6±0.5 10-24cm3 Surface Tension 27.0±3.0 dyne/cm Molar Volume 172.4±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: -50 °C […]

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Pentacosane C25H52 structure

Molecular Formula C25H52 Average mass 352.680 Da Density 0.8±0.1 g/cm3 Boiling Point 401.9±8.0 °C at 760 mmHg Flash Point 246.1±8.0 °C Molar Refractivity 117.9±0.3 cm3 Polarizability 46.7±0.5 10-24cm3 Surface Tension 29.3±3.0 dyne/cm Molar Volume 441.2±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: 54 °C […]

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aminopyridine C5H6N2 structure

Molecular Formula C5H6N2 Average mass 94.115 Da Density 1.1±0.1 g/cm3 Boiling Point 210.6±0.0 °C at 760 mmHg Flash Point 98.7±7.0 °C Molar Refractivity 28.6±0.3 cm3 Polarizability 11.3±0.5 10-24cm3 Surface Tension 51.2±3.0 dyne/cm Molar Volume 84.9±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Lab Report Partition Coefficient

Purpose: The purpose of this particular lab was to demonstrate the difference in separation of Benzoic acid in water and Dichloromethane. Also the difference in separation of Benzoic acid in bicarbonate and Dichloromethane. By calculating the partition coefficient for each of these separations, it became clear the differences in the separation of the aqueous and […]

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