return to home page

II.A.3. (XII.A.1.)

Listing of experimental geometry data for CH3CH2Cl (Ethyl chloride)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
A B C
1.04530 0.18325 0.16553
Rotational Constants from 1962Sch/Jac:1245
Calculated rotational constants for CH3CH2Cl (Ethyl chloride).

Point Group Cs

Internal coordinates (distances (r) in Å) (angles (a) in degrees) (dihedrals (d) in degrees)
Description Value Connectivity Reference Comment
Atom 1 Atom 2 Atom 3 Atom 4
rCC 1.510 1 2 1998Kuc
rCCl 1.789 2 6 1998Kuc
rCH 1.086 2 7 1998Kuc next to Cl
rCH 1.090 1 3 1998Kuc symmetric H
rCH 1.089 1 4 1998Kuc
aCCCl 111.02 1 2 6 1998Kuc
aHCC 110.53 2 1 4 1998Kuc asymetric H on CH3
aHCH 108.26 4 1 5 1998Kuc asymetric Hs on CH3
aHCC 109.3 2 1 3 1998Kuc symmetric H on CH3
aHCC 111.81 1 2 7 1998Kuc H on CH2Cl
aHCH 108.99 7 2 8 1998Kuc CH2Cl end
picture of Ethyl chloride

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 5
C-C 1
C-Cl 1

Atom x (Å) y (Å) z (Å)
C1 1.5949 -0.3563 -0.0000
C2 0.4757 0.6568 -0.0004
H3 2.5527 0.1648 0.0000
H4 1.5351 -0.9919 -0.8828
H5 1.5347 -0.9917 0.8828
Cl6 -1.1206 -0.1505 -0.0005
H7 0.5089 1.2945 -0.8790
H8 0.4949 1.2796 0.8893

Atom - Atom Distances (Å)
  C1 C2 H3 H4 H5 Cl6 H7 H8
C11.50961.09041.08941.08942.72322.16272.1627
C21.50962.13452.14922.14921.78881.08621.0862
H31.09042.13451.77561.77573.68682.49522.5037
H41.08942.14921.77561.76562.92222.50623.0630
H51.08942.14921.77571.76562.92213.06322.4981
Cl62.72321.78883.68682.92222.92212.34842.3338
H72.16271.08622.49522.50623.06322.34841.7685
H82.16271.08622.50373.06302.49812.33381.7685

Calculated geometries for CH3CH2Cl (Ethyl chloride).


References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.
squib reference DOI
1998Kuc K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998  

Got a better number? Please email us at cccbdb@nist.gov


Browse
PreviousNext