Input interpretation
toluene | (S)-(-)-4-phenyl-1, 3-dioxane
Chemical names and formulas
| toluene | (S)-(-)-4-phenyl-1, 3-dioxane formula | C_6H_5CH_3 | C_10H_12O_2 Hill formula | C_7H_8 | C_10H_12O_2 name | toluene | (S)-(-)-4-phenyl-1, 3-dioxane IUPAC name | methylbenzene | (4S)-4-phenyl-1, 3-dioxane alternate names | meth acid e | methane, phenyl- | methylbenzene | methylbenzol | phenylmethane | toluol | (4S)-4-phenyl-1, 3-dioxane mass fractions | C (carbon) 91.2% | H (hydrogen) 8.75% | C (carbon) 73.1% | H (hydrogen) 7.37% | O (oxygen) 19.5%
Structure diagrams
| toluene | (S)-(-)-4-phenyl-1, 3-dioxane vertex count | 7 | 12 edge count | 7 | 13 Schultz index | 193 | 898 Wiener index | 42 | 198 Hosoya index | 26 | 388 Balaban index | 2.123 | 1.8
3D structure
3D structure
Basic properties
| toluene | (S)-(-)-4-phenyl-1, 3-dioxane molar mass | 92.14 g/mol | 164.2 g/mol phase | liquid (at STP) | liquid (at STP) melting point | -93 °C | boiling point | 110.5 °C | 250.5 °C density | 0.865 g/cm^3 | 1.111 g/cm^3
Units
Hydrophobicity and permeability properties
| toluene predicted LogP hydrophobicity | 2.56 experimental LogS | -2.21 predicted LogS | -2.26