Input interpretation
1, 2-propanediol dibenzoate
Chemical names and formulas
![formula | C_6H_5CO_2CH_2CH(CH_3)O_2CC_6H_5 Hill formula | C_17H_16O_4 name | 1, 2-propanediol dibenzoate IUPAC name | benzoic acid [1-methyl-2-(oxo-phenylmethoxy)ethyl] ester alternate names | 1-(benzoyloxy)propan-2-yl benzoate | 1-phenylcarbonyloxypropan-2-yl benzoate | [2-(benzoyloxy)-1-methyl-ethyl] benzoate | benzoic acid [2-(benzoyloxy)-1-methyl-ethyl] ester mass fractions | C (carbon) 71.8% | H (hydrogen) 5.67% | O (oxygen) 22.5%](../image_source/6d6f84ad74d8d049fea671230ce72fae.png)
formula | C_6H_5CO_2CH_2CH(CH_3)O_2CC_6H_5 Hill formula | C_17H_16O_4 name | 1, 2-propanediol dibenzoate IUPAC name | benzoic acid [1-methyl-2-(oxo-phenylmethoxy)ethyl] ester alternate names | 1-(benzoyloxy)propan-2-yl benzoate | 1-phenylcarbonyloxypropan-2-yl benzoate | [2-(benzoyloxy)-1-methyl-ethyl] benzoate | benzoic acid [2-(benzoyloxy)-1-methyl-ethyl] ester mass fractions | C (carbon) 71.8% | H (hydrogen) 5.67% | O (oxygen) 22.5%
Lewis structure
Draw the Lewis structure of 1, 2-propanediol dibenzoate. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), and oxygen (n_O, val = 6) atoms: 17 n_C, val + 16 n_H, val + 4 n_O, val = 108 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), hydrogen (n_H, full = 2), and oxygen (n_O, full = 8): 17 n_C, full + 16 n_H, full + 4 n_O, full = 200 Subtracting these two numbers shows that 200 - 108 = 92 bonding electrons are needed. Each bond has two electrons, so in addition to the 38 bonds already present in the diagram add 8 bonds. To minimize formal charge oxygen wants 2 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 8 bonds by pairing electrons between adjacent highlighted atoms. Note that the six atom rings are aromatic, so that the single and double bonds may be rearranged: Answer: | |
3D structure
3D structure
Basic properties
molar mass | 284.31 g/mol phase | liquid (at STP) melting point | -3 °C boiling point | 232 °C (measured at 1600 Pa) density | 1.16 g/cm^3
Units
Liquid properties (at STP)
density | 1.16 g/cm^3 refractive index | 1.545
Units
Chemical identifiers
CAS number | 19224-26-1 PubChem CID number | 517637 PubChem SID number | 24862969 SMILES identifier | CC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2 InChI identifier | InChI=1/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11, 13H, 12H2, 1H3 MDL number | MFCD00038803
Safety properties
flash point | 110 °C