Essay on Aromaticity

5-AZAPHENANTHRENE C13H9N structure

Molecular Formula C13H9N Average mass 179.217 Da Density 1.2±0.1 g/cm3 Boiling Point 340.8±0.0 °C at 760 mmHg Flash Point 155.9±11.9 °C Molar Refractivity 60.0±0.3 cm3 Polarizability 23.8±0.5 10-24cm3 Surface Tension 54.0±3.0 dyne/cm Molar Volume 150.9±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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BENZO(B)FLUORANTHENE C20H12 structure

Molecular Formula C20H12 Average mass 252.309 Da Density 1.3±0.1 g/cm3 Boiling Point 467.5±12.0 °C at 760 mmHg Flash Point 228.6±13.7 °C Molar Refractivity 90.3±0.3 cm3 Polarizability 35.8±0.5 10-24cm3 Surface Tension 63.5±3.0 dyne/cm Molar Volume 196.1±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Perylene C20H12 structure

Molecular Formula C20H12 Average mass 252.309 Da Density 1.3±0.1 g/cm3 Boiling Point 467.5±12.0 °C at 760 mmHg Flash Point 228.6±13.7 °C Molar Refractivity 90.3±0.3 cm3 Polarizability 35.8±0.5 10-24cm3 Surface Tension 63.5±3.0 dyne/cm Molar Volume 196.1±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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tetrahelicene C18H12 structure

Molecular Formula C18H12 Average mass 228.288 Da Density 1.2±0.1 g/cm3 Boiling Point 436.7±12.0 °C at 760 mmHg Flash Point 209.1±13.7 °C Molar Refractivity 79.8±0.3 cm3 Polarizability 31.6±0.5 10-24cm3 Surface Tension 53.5±3.0 dyne/cm Molar Volume 191.8±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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IP C22H12 structure

Molecular Formula C22H12 Average mass 276.331 Da Density 1.4±0.1 g/cm3 Boiling Point 497.1±12.0 °C at 760 mmHg Flash Point 247.2±13.7 °C Molar Refractivity 100.8±0.3 cm3 Polarizability 40.0±0.5 10-24cm3 Surface Tension 74.2±3.0 dyne/cm Molar Volume 200.4±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Coronene C24H12 structure

Molecular Formula C24H12 Average mass 300.352 Da Density 1.5±0.1 g/cm3 Boiling Point 525.6±17.0 °C at 760 mmHg Flash Point 265.2±15.1 °C Molar Refractivity 111.4±0.3 cm3 Polarizability 44.1±0.5 10-24cm3 Surface Tension 85.8±3.0 dyne/cm Molar Volume 204.7±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: 440 °C […]

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Anthracene C14H10 structure

Molecular Formula C14H10 Average mass 178.229 Da Density 1.1±0.1 g/cm3 Boiling Point 337.4±9.0 °C at 760 mmHg Flash Point 146.6±12.8 °C Molar Refractivity 61.9±0.3 cm3 Polarizability 24.6±0.5 10-24cm3 Surface Tension 48.0±3.0 dyne/cm Molar Volume 157.7±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Isoquinoline C9H7N structure

Molecular Formula C9H7N Average mass 129.159 Da Density 1.1±0.1 g/cm3 Boiling Point 243.2±0.0 °C at 760 mmHg Flash Point 107.2±0.0 °C Molar Refractivity 42.2±0.3 cm3 Polarizability 16.7±0.5 10-24cm3 Surface Tension 46.7±3.0 dyne/cm Molar Volume 116.8±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Biphenyl C12H10 structure

Molecular Formula C12H10 Average mass 154.208 Da Density 1.0±0.1 g/cm3 Boiling Point 258.0±7.0 °C at 760 mmHg Flash Point 105.5±8.9 °C Molar Refractivity 50.8±0.3 cm3 Polarizability 20.2±0.5 10-24cm3 Surface Tension 36.6±3.0 dyne/cm Molar Volume 154.7±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Tetracene C18H12 structure

Molecular Formula C18H12 Average mass 228.288 Da Density 1.2±0.1 g/cm3 Boiling Point 436.7±12.0 °C at 760 mmHg Flash Point 209.1±13.7 °C Molar Refractivity 79.8±0.3 cm3 Polarizability 31.6±0.5 10-24cm3 Surface Tension 53.5±3.0 dyne/cm Molar Volume 191.8±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Naphthalen-2-amine C10H9N structure

Molecular Formula C10H9N Average mass 143.185 Da Density 1.1±0.1 g/cm3 Boiling Point 307.5±11.0 °C at 760 mmHg Flash Point 157.1±14.6 °C Molar Refractivity 48.3±0.3 cm3 Polarizability 19.2±0.5 10-24cm3 Surface Tension 51.4±3.0 dyne/cm Molar Volume 125.8±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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leucoline C9H7N structure

Molecular Formula C9H7N Average mass 129.159 Da Density 1.1±0.1 g/cm3 Boiling Point 234.1±9.0 °C at 760 mmHg Flash Point 101.1±0.0 °C Molar Refractivity 42.2±0.3 cm3 Polarizability 16.7±0.5 10-24cm3 Surface Tension 46.7±3.0 dyne/cm Molar Volume 116.8±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Anthrone C14H10O structure

Molecular Formula C14H10O Average mass 194.229 Da Density 1.2±0.1 g/cm3 Boiling Point 343.4±22.0 °C at 760 mmHg Flash Point 150.3±17.3 °C Molar Refractivity 58.5±0.3 cm3 Polarizability 23.2±0.5 10-24cm3 Surface Tension 48.8±3.0 dyne/cm Molar Volume 162.6±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Carbazole C12H9N structure

Molecular Formula C12H9N Average mass 167.207 Da Density 1.2±0.1 g/cm3 Boiling Point 355.0±11.0 °C at 760 mmHg Flash Point 160.0±11.9 °C Molar Refractivity 56.4±0.3 cm3 Polarizability 22.3±0.5 10-24cm3 Surface Tension 57.5±3.0 dyne/cm Molar Volume 136.0±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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BENZANTHRONE C17H10O structure

Molecular Formula C17H10O Average mass 230.261 Da Density 1.3±0.1 g/cm3 Boiling Point 436.2±12.0 °C at 760 mmHg Flash Point 196.1±14.5 °C Molar Refractivity 71.8±0.3 cm3 Polarizability 28.5±0.5 10-24cm3 Surface Tension 58.3±3.0 dyne/cm Molar Volume 178.9±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Benz(a)anthracene C18H12 structure

Molecular Formula C18H12 Average mass 228.288 Da Density 1.2±0.1 g/cm3 Boiling Point 436.7±12.0 °C at 760 mmHg Flash Point 209.1±13.7 °C Molar Refractivity 79.8±0.3 cm3 Polarizability 31.6±0.5 10-24cm3 Surface Tension 53.5±3.0 dyne/cm Molar Volume 191.8±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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Dibenzofuran C12H8O structure

Molecular Formula C12H8O Average mass 168.191 Da Density 1.2±0.1 g/cm3 Boiling Point 287.0±9.0 °C at 760 mmHg Flash Point 135.0±5.5 °C Molar Refractivity 54.2±0.3 cm3 Polarizability 21.5±0.5 10-24cm3 Surface Tension 47.6±3.0 dyne/cm Molar Volume 140.5±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting […]

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pnb C12H9NO2 structure

Molecular Formula C12H9NO2 Average mass 199.205 Da Density 1.2±0.1 g/cm3 Boiling Point 340.0±11.0 °C at 760 mmHg Flash Point 162.1±12.1 °C Molar Refractivity 57.4±0.3 cm3 Polarizability 22.8±0.5 10-24cm3 Surface Tension 47.0±3.0 dyne/cm Molar Volume 166.6±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting Point: 114 °C […]

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Isoamyl Isobutyrate C9H18O2 structure

Molecular Formula C9H18O2 Average mass 158.238 Da Density 0.9±0.1 g/cm3 Boiling Point 165.2±8.0 °C at 760 mmHg Flash Point 50.5±5.4 °C Molar Refractivity 45.4±0.3 cm3 Polarizability 18.0±0.5 10-24cm3 Surface Tension 26.1±3.0 dyne/cm Molar Volume 181.3±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Boiling […]

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1-Methyl-9H-fluorene C14H12 structure

Molecular Formula C14H12 Average mass 180.245 Da Density 1.1±0.1 g/cm3 Boiling Point 313.5±17.0 °C at 760 mmHg Flash Point 148.5±11.7 °C Molar Refractivity 58.6±0.3 cm3 Polarizability 23.2±0.5 10-24cm3 Surface Tension 44.2±3.0 dyne/cm Molar Volume 164.6±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: 84-86 °C […]

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9-Methylphenanthrene C15H12 structure

Molecular Formula C15H12 Average mass 192.256 Da Density 1.1±0.1 g/cm3 Boiling Point 353.5±9.0 °C at 760 mmHg Flash Point 157.5±12.8 °C Molar Refractivity 66.8±0.3 cm3 Polarizability 26.5±0.5 10-24cm3 Surface Tension 45.8±3.0 dyne/cm Molar Volume 173.9±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental LogP: […]

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