Spiropentane
- Formula: C5H8
- Molecular weight: 68.1170
- IUPAC Standard InChI: InChI=1S/C5H8/c1-2-5(1)3-4-5/h1-4H2
- IUPAC Standard InChIKey: OGNAOIGAPPSUMG-UHFFFAOYSA-N
- CAS Registry Number: 157-40-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Spiro[2.2]pentane
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Gas phase thermochemistry data
Go To: Top, Mass spectrum (electron ionization), 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 44.23 ± 0.18 | kcal/mol | Cm | Fraser and Prosen, 1955 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°gas | -787.77 ± 0.17 | kcal/mol | Cm | Fraser and Prosen, 1955 | Corresponding ΔfHºgas = 44.25 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°gas | -778.7 ± 0.31 | kcal/mol | Ccb | Humphrey and Spitzer, 1950 | Corresponding ΔfHºgas = 35.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 66.37 ± 0.15 | 283.16 | Scott D.W., 1950 | GT |
| 67.45 ± 0.15 | 298.16 | ||
| 68.44 ± 0.15 | 312.14 |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 21.06 | 298.15 | Scott D.W., 1950 | Heat capacity values calculated using more recent assignment of vibrational frequencies [ Burns G.R., 1975] agree well with those of the [ Scott D.W., 1950].; GT |
| 21.19 | 300. | ||
| 28.549 | 400. | ||
| 34.909 | 500. | ||
| 40.100 | 600. | ||
| 44.359 | 700. | ||
| 47.911 | 800. | ||
| 50.930 | 900. | ||
| 53.511 | 1000. | ||
| 55.729 | 1100. | ||
| 57.641 | 1200. | ||
| 59.290 | 1300. | ||
| 60.729 | 1400. | ||
| 61.979 | 1500. |
Mass spectrum (electron ionization)
Go To: Top, Gas phase 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1990. |
| NIST MS number | 118856 |
References
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fraser and Prosen, 1955
Fraser, F.M.; Prosen, E.J.,
Heats of combustion and isomerization of six pentadienes and spiropentane,
J. Res. NBS, 1955, 54, 143-148. [all data]
Humphrey and Spitzer, 1950
Humphrey, G.I.; Spitzer, R.,
Bond hybridization in the non-tetrahedral carbon atom. The heats of combustion of spiro-pentane and methylcyclobutane,
J. Chem. Phys., 1950, 18, 902. [all data]
Scott D.W., 1950
Scott D.W.,
Spiropentane: heat capacity, heats of fusion and vaporization, vapor pressure, entropy and thermodynamic functions,
J. Am. Chem. Soc., 1950, 72, 4664-4668. [all data]
Burns G.R., 1975
Burns G.R.,
The force field and normal coordinates of spiropentane,
J. Mol. Struct., 1975, 27, 383-390. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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