Cyclopropane
- Formula: C3H6
- Molecular weight: 42.0797
- IUPAC Standard InChIKey: LVZWSLJZHVFIQJ-UHFFFAOYSA-N
- CAS Registry Number: 75-19-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Trimethylene; Trimethylene (cyclic); UN 1027; Cyclopropnane
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Reaction thermochemistry data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C3H5- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 410. ± 3. | kcal/mol | AVG | N/A | Average of 5 out of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 401. ± 3. | kcal/mol | AVG | N/A | Average of 3 out of 6 values; Individual data points |
By formula: HBr + C3H6 = C3H7Br
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -25.77 ± 0.32 | kcal/mol | Cm | Lacher, Kianpour, et al., 1957 | gas phase; ALS |
ΔrH° | -22.69 ± 0.16 | kcal/mol | Cm | Lacher, Walden, et al., 1950 | gas phase; Heat of hydrobromination; ALS |
By formula: C3H6I2 = C3H6 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 18.3 ± 4.0 | kcal/mol | Eqk | Benson and Amano, 1962 | gas phase; ALS |
Vibrational and/or electronic energy levels
Go To: Top, Reaction thermochemistry data, References, Notes
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
Symmetry: D3h Symmetry Number σ = 6
Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
---|---|---|---|---|---|---|---|---|---|---|
Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
a1' | 1 | CH2 s-str | 3038 | C | ia | 3038 S p | gas | |||
a1' | 2 | CH2 scis | 1479 | D | ia | 1504 W p | gas | FR(2ν14) | ||
a1' | 2 | CH2 scis | 1479 | D | ia | 1453 W p | gas | FR(2ν14) | ||
a1' | 3 | Ring str | 1188 | C | ia | 1188 S p | gas | |||
a1 | 4 | CH2 twist | 1126 | D | 1126 ia VW | gas | 1133 ia | gas | ||
a2' | 5 | CH2 wag | 1070 | D | 1075 ia | sln. | ia | OC(ν5+ν10) | ||
a2 | 6 | CH2 a-str | 3103 | C | 3103 S | gas | ia | |||
a2 | 7 | CH2 rock | 854 | C | 854 S | gas | ia | |||
e' | 8 | CH2 s-str | 3025 | C | 3025 VS | gas | 3020 VS p | gas | ||
e' | 9 | CH2 scis | 1438 | C | 1438 M | gas | 1442 M dp | gas | ||
e' | 10 | CH2 wag | 1029 | C | 1029 S | gas | 1023 VW | liq. | ||
e' | 11 | Ring deform | 866 | C | 866 VS | gas | 866 S dp | gas | ||
e | 12 | CH2 a-str | 3082 | C | ia | 3082 S dp | gas | |||
e | 13 | CH2 twist | 1188 | C | ia | 1188 M dp | gas | |||
e | 14 | CH2 rock | 739 | C | ia | 739 W dp | gas | |||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
VW | Very weak |
ia | Inactive |
p | Polarized |
dp | Depolarized |
FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
OC | Frequency estimated from an overtone or a combination tone indicated in the parentheses. |
C | 3~6 cm-1 uncertainty |
D | 6~15 cm-1 uncertainty |
References
Go To: Top, Reaction thermochemistry data, 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.
Lacher, Kianpour, et al., 1957
Lacher, J.R.; Kianpour, A.; Park, J.D.,
Reaction heats of organic halogen compounds. X. Vapor phase heats of hydrobromination of cyclopropane and propylene,
J. Phys. Chem., 1957, 61, 1124-1125. [all data]
Lacher, Walden, et al., 1950
Lacher, J.R.; Walden, C.H.; Lea, K.R.; Park, J.D.,
Vapor phase heats of hydrobromination of cyclopropane and propylene,
J. Am. Chem. Soc., 1950, 72, 331-333. [all data]
Benson and Amano, 1962
Benson, S.W.; Amano, A.,
Thermodynamics of iodine addition to ethylene, propylene, and cyclopropane,
J. Chem. Phys., 1962, 36, 3464-3471. [all data]
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, Reaction thermochemistry data, Vibrational and/or electronic energy levels, References
- Symbols used in this document:
ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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