Input interpretation
1, 2-dimethoxyethane
Chemical names and formulas
formula | CH_3OCH_2CH_2OCH_3 Hill formula | C_4H_10O_2 name | 1, 2-dimethoxyethane alternate names | 2, 5-dioxahexane | dimethoxyethane | dimethylcellosolve | dimethylglycol | ethane, 1, 2-dimethoxy- | ethylene glycol dimethyl ether | glycol dimethyl ether | glyme | mono-glyme | monoglyme mass fractions | C (carbon) 53.3% | H (hydrogen) 11.2% | O (oxygen) 35.5%
Lewis structure
Draw the Lewis structure of 1, 2-dimethoxyethane. Start by drawing the overall structure of the molecule: Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), and oxygen (n_O, val = 6) atoms: 4 n_C, val + 10 n_H, val + 2 n_O, val = 38 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): 4 n_C, full + 10 n_H, full + 2 n_O, full = 68 Subtracting these two numbers shows that 68 - 38 = 30 bonding electrons are needed. Each bond has two electrons, so the above diagram has all the necessary bonds. There are 15 bonds and hence 30 bonding electrons in the diagram. Lastly, fill in the remaining unbonded electrons on each atom. In total, there remain 38 - 30 = 8 electrons left to draw: Answer: | |
3D structure
3D structure
Basic properties
molar mass | 90.12 g/mol phase | liquid (at STP) melting point | -58 °C boiling point | 85 °C density | 0.867 g/cm^3 solubility in water | soluble
Units
Hydrophobicity and permeability properties
experimental LogP hydrophobicity | -0.21 predicted LogP hydrophobicity | 0.03 predicted LogS | 0.3
Basic drug properties
approval status | experimental | small molecule
Liquid properties (at STP)
density | 0.867 g/cm^3 vapor pressure | 47.99 mmHg dynamic viscosity | 4.7×10^-4 Pa s (at 15 °C) surface tension | 0.01771 N/m refractive index | 1.379 UV cutoff wavelength | 240 nm
Units
Thermodynamic properties
molar heat of vaporization | 30.95 kJ/mol specific heat of vaporization | 0.3434 kJ/g molar heat of combustion | 2624 kJ/mol specific heat of combustion | 29.12 kJ/g molar heat of fusion | 12.6 kJ/mol specific heat of fusion | 0.14 kJ/g critical temperature | 543 K critical pressure | 3.96 MPa (at STP)
Chemical identifiers
CAS number | 110-71-4 Beilstein number | 1209237 PubChem CID number | 8071 PubChem SID number | 24855522 SMILES identifier | COCCOC InChI identifier | InChI=1/C4H10O2/c1-5-3-4-6-2/h3-4H2, 1-2H3 InChI key | XTHFKEDIFFGKHM-UHFFFAOYAT RTECS number | KI1451000 MDL number | MFCD00008502
NFPA label
NFPA label
NFPA health rating | 1 NFPA fire rating | 2 NFPA reactivity rating | 0
Safety properties
flash point | 0 °C autoignition point | 200 °C lower explosive limit | 1.6% (concentration in air) upper explosive limit | 10.4% (concentration in air)
DOT hazard class | 3 DOT numbers | 2252
Toxicity properties
RTECS classes | reproductive effector