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Butane

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Vibrational and/or electronic energy levels

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Takehiko Shimanouchi

Trans form     Symmetry:   C2h     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

ag 1 CH3 d-str 2965  C  ia 2965 sln. SF(«nu»20)
ag 2 CH3 s-str 2872  C  ia 2872 sln.
ag 3 CH2 s-str 2853  D  ia 2853 sln.
ag 4 CH3 d-deform 1460  C  ia 1460 sln. SF(«nu»22)
ag 5 CH2 scis 1442  D  ia 1442 sln.
ag 6 CH3 s-deform 1382  C  ia CF
ag 7 CH2 wag 1361  D  ia CF
ag 8 CH3 rock 1151  C  ia 1151 sln.
ag 9 CC str 1059  C  ia 1059 sln.
ag 10 CC str 837  C  ia 837 sln.
ag 11 CCC deform 425  C  ia 425 sln.
au 12 CH3 d-str 2968  C 2968 S solid solid  ia SF(«nu»27)
au 13 CH2 a-str 2930  C 2930 S solid solid  ia
au 14 CH3 d-deform 1461  C 1461 S solid solid  ia SF(«nu»30, )OV(«nu»30,«nu»31)
au 15 CH2 twist 1257  C 1257 W sln.  ia
au 16 CH3 rock 948  B 948 M solid solid  ia
au 17 CH2 rock 731  B 731 S solid solid  ia
au 18 CH3-CH2 torsion 194  E  ia CF
au 19 CH2-CH2 torsion 102  E  ia CF
bg 20 CH3 d-str 2965  C  ia 2965 sln. SF(«nu»1)
bg 21 CH2 a-str 2912  C  ia 2912 sln.
bg 22 CH3 d-deform 1460  C  ia 1460 sln. SF(«nu»4)
bg 23 CH2 twist 1300  C  ia 1300 sln.
bg 24 CH3 rock 1180  D  ia CF
bg 25 CH2 rock 803  D  ia CF
bg 26 CH3-CH2 torsion 225  E  ia CF
bu 27 CH3 d-str 2968  C 2968 S solid solid  ia SF(«nu»12)
bu 28 CH3 s-str 2870  C 2870 S solid solid  ia
bu 29 CH2 s-str 2853  E  ia SF(«nu»3)
bu 30 CH3 d-deform 1461  C 1461 S solid solid  ia SF(«nu»14, )OV(«nu»14,«nu»31)
bu 31 CH2 scis 1461  C 1461 S solid solid  ia OV(«nu»14,«nu»30)
bu 32 CH3 s-deform 1379  B 1379 M solid solid  ia
bu 33 CH2 wag 1290  B 1290 W solid solid  ia
bu 34 CC str 1009  C 1009 W sln.  ia
bu 35 CH3 rock 964  B 964 M solid solid  ia
bu 36 CCC deform 271  E  ia CF

Source: Shimanouchi, 1972

Gauche form     Symmetry:   C2     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a 1 CH3 d-str 2968  C Deduced from the corresponding frequencies of the trans form
a 2 CH3 d-str 2968  C Deduced from the corresponding frequencies of the trans form
a 3 CH2 a-str 2920  D Deduced from the corresponding frequencies of the trans form
a 4 CH3 s-str 2870  C Deduced from the corresponding frequencies of the trans form
a 5 CH2 s-str 2860  D Deduced from the corresponding frequencies of the trans form
a 6 CH3 d-deform 1460  C Deduced from the corresponding frequencies of the trans form
a 7 CH3 d-deform 1460  C Deduced from the corresponding frequencies of the trans form
a 8 CH2 scis 1450  D Deduced from the corresponding frequencies of the trans form
a 9 CH3 s-deform 1380  C Deduced from the corresponding frequencies of the trans form
a 10 CH2 wag 1350  C 1350 W liq.
a 11 CH2 twist 1281  C 1281 liq.
a 12 CH3 rock 1168  D 1168 liq.
a 13 CC str 1077  D 1077 liq.
a 14 CH3 rock 980  D 980 liq. OV(«nu»32)
a 15 CC str 827  D 827 liq.
a 16 CH2 rock 788  C 788 M liq. 789 liq.
a 17 CCC deform 320  C 320 liq.
a 18 CH3-CH2 torsion 201  E CF
a 19 CH2-CH2 torsion 101  E CF
b 20 CH3 d-str 2968  C Deduced from the corresponding frequencies of the trans form
b 21 CH3 d-str 2968  C Deduced from the corresponding frequencies of the trans form
b 22 CH2 a-str 2920  D Deduced from the corresponding frequencies of the trans form
b 23 CH3 s-str 2870  C Deduced from the corresponding frequencies of the trans form
b 24 CH2 s-str 2860  D Deduced from the corresponding frequencies of the trans form
b 25 CH3 d-deform 1460  C Deduced from the corresponding frequencies of the trans form
b 26 CH3 d-deform 1460  C Deduced from the corresponding frequencies of the trans form
b 27 CH2 scis 1450  D Deduced from the corresponding frequencies of the trans form
b 28 CH3 s-deform 1380  C Deduced from the corresponding frequencies of the trans form
b 29 CH2 wag 1370  D 1370 VW liq.
b 30 CH2 twist 1233  C 1233 W liq.
b 31 CC str 1133  D 1133 M liq.
b 32 CH3 rock 980  D 980 liq. OV(«nu»14,«nu»30)
b 33 CH3 rock 955  C 955 liq.
b 34 CH2 rock 747  C 747 S liq.
b 35 CCC deform 469  D CF
b 36 CH3-CH2 torsion 197  E CF

Source: Shimanouchi, 1972

Notes

SStrong
MMedium
WWeak
VWVery weak
iaInactive
CFCalculated frequency
SFCalculation shows that the frequency approximately equals that of the vibration indicated in the parentheses.
OVOverlapped by band indicated in parentheses.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

References

Go To: Top, Vibrational and/or electronic energy levels, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Shimanouchi, 1972
Shimanouchi, T., Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]


Notes

Go To: Top, Vibrational and/or electronic energy levels, References