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Can you predict the physical properties of a chemical by its chemical formula?


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Posted

Can you predict the physical properties of a chemical by its chemical formula?

For example:

 

H2O

 

Just by looking at the periodic table, you can tell what the 3d electron structure is, you can tell its molecular mass, ect.

But, my question is, is it possible to predict what its density will be? (at room temperature and standard pressure). Or what color it would be? Or whether it would be a liquid, solid, or gas? ect?

Thanks

Posted

For H2O, NaCl or CH4, with a lot of computing power, you might be able to get a reasonable approximation to those properties.

 

For a formula like C2H6O you couldn't because you wouldn't know which isomer you had.

Posted
For H2O, NaCl or CH4, with a lot of computing power, you might be able to get a reasonable approximation to those properties.

 

For a formula like C2H6O you couldn't because you wouldn't know which isomer you had.

 

If you knew what the molecular structure of C2H6O is, then could you predict it?

Posted
Can you predict the physical properties of a chemical by its chemical formula?

For example:

 

H2O

 

Just by looking at the periodic table, you can tell what the 3d electron structure is, you can tell its molecular mass, ect.

But, my question is, is it possible to predict what its density will be? (at room temperature and standard pressure). Or what color it would be? Or whether it would be a liquid, solid, or gas? ect?

Thanks

 

 

You should be able to predict its color, by analyzing how the molecule interacts with the chemicals withing it. But you would need to know what frequencies of light are exhibited by the chemicals making up the molecule and how they interact.

you should also be alb eot predict its density based upon its chemical formula. you should be able to do this by summing its calculated chemical mass'es. however density is obviously dependent on volume, and volume is dependent on temerature and pressure. IMO density would require quite a bit of computing power to predict. Though you should be able to predict just about anything if you know the chemical formula.

Posted

If you knew the structure then, in principle, you can calculate things like density.

In practice I don't think this has even been done successfully for water, never mind anything bigger

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