return to home page

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

Listing of experimental geometry data for C4H10O (Propane, 2-methoxy-)

Rotational Constants (cm-1)
See section I.F.4 to change rotational constant units
Rotational Constants from
Calculated rotational constants for C4H10O (Propane, 2-methoxy-).

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
rCO 1.416 5 1987Kuchitsu(II/15) to end C
rCO 1.422 5 14 1987Kuchitsu(II/15) to propyl side
rCC 1.528 6 14 1987Kuchitsu(II/15)
rCC 1.519 10 14 1987Kuchitsu(II/15)
rCH 1.090 6 7 1987Kuchitsu(II/15) !assumed, propyl side, end C
rCH 1.095 14 15 1987Kuchitsu(II/15) !assumed, propyl side, center C
rCH 1.095 1 2 1987Kuchitsu(II/15) methyl side
aCOC 112.5 1 5 14 1987Kuchitsu(II/15)
aCCO 113.7 5 14 6 1987Kuchitsu(II/15)
aCCO 107.7 5 14 10 1987Kuchitsu(II/15)
aCCC 112.7 6 14 10 1987Kuchitsu(II/15)
dCOCH 47 1 5 14 15 1987Kuchitsu(II/15)
dCOCC 71.9 1 5 14 6 1987Kuchitsu(II/15) !assumed
dCOCC 162.6 1 5 14 10 1987Kuchitsu(II/15) !assumed
picture of Propane, 2-methoxy-

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 10
C-C 2
C-O 2

Atom x (Å) y (Å) z (Å)

Atom - Atom Distances (Å)

Calculated geometries for C4H10O (Propane, 2-methoxy-).

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
squib reference DOI
1987Kuchitsu(II/15) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.  

Got a better number? Please email us at