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3 votes
1 answer
619 views

Why does N,N-dimethylethanamide have a higher boiling point than butanoic acid?

According to Wikipedia, N,N-dimethylethanamide has a boiling point of $\pu{165.1 °C},$ while butanoic acid has a boiling point of $\pu{163.75 °C}.$ From what I learned, butanoic acid should have a ...
Pen and Paper's user avatar
5 votes
1 answer
2k views

For two compounds that are symmetrical, why does the more compact one have a higher melting point?

In this post, I refer to two molecules B (Di-tert-butyl ether) and C (Dibutyl ether). Wikipedia: Di-tert-butyl ether (B) b.p. 107.2 C m.p. - 61 C ...
ning's user avatar
  • 155
1 vote
2 answers
7k views

Why does branching decrease density and melting point?

The general explanation given is that the chains are further apart, so the intermolecular forces are less, and as they are further apart, they occupy more volume, and the density is lesser. But the ...
John's user avatar
  • 495
0 votes
1 answer
9k views

Which of these functional groups is soluble in aqueous HCl and/or NaOH?

http://pastpapers.papacambridge.com/view.php?id=Cambridge%20International%20Examinations%20%28CIE%29/AS%20and%20A%20Level/Chemistry%20%289701%29/2015%20Jun/9701_s15_qp_42.pdf I need some help to ...
John's user avatar
  • 495
2 votes
2 answers
458 views

Why is polymer B more dense than polymer A?

The official solution is that A has branched / side chains, weak Van der Waals forces between the polymer chains, less compact packing than B, and large inter-chain distances. B has no branched chains,...
John's user avatar
  • 495
7 votes
1 answer
229 views

Computational Chemistry: calculation of sterical effects

Is there a way to calculate sterical forces between atoms/groups of atoms (preferably with free and open source tools)? I have heard that this is possible within the framework of NBO. I am using ORCA, ...
logical x 2's user avatar
  • 2,804
9 votes
1 answer
415 views

Why do dianions (such as malonate) bind cations more strongly than anions?

Why does a dianion (such as malonate) bind cations more strongly than its equivalent anion (acetate)? Is it simply because of the proximal availability of another $\ce{O-}$ group that can bind to ...
Kestrel's user avatar
  • 339
2 votes
0 answers
1k views

Structure of fluoroalkylsilane

I want to use FAS (fluoroalkylsilane) in my molecular dynamics study. How can I find it's real structure? So that I can find proper forcefield for simulating the molecule. It would be very nice if you ...
Ghartal's user avatar
  • 141