Cyclopropane, butyl-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI: InChI=1S/C7H14/c1-2-3-4-7-5-6-7/h7H,2-6H2,1H3
- IUPAC Standard InChIKey: SXZVSSJONMPJMN-UHFFFAOYSA-N
- CAS Registry Number: 930-57-4
- 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: Butane, 1-cyclopropyl-; Butylcyclopropane
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Options:
Phase change data
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, 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: Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 371.15 | K | N/A | Turnbull and Wallis, 1956 | Uncertainty assigned by TRC = 1.5 K |
| Tboil | 372.7 | K | N/A | Gragson, Greenlee, et al., 1955 | Uncertainty assigned by TRC = 0.6 K |
| Tboil | 372.7 | K | N/A | Gragson, Greenlee, et al., 1955 | Uncertainty assigned by TRC = 0.5 K |
| Quantity | Value | Units | Method | Reference | Comment |
| Tfus | 148.5 | K | N/A | Gragson, Greenlee, et al., 1955 | Uncertainty assigned by TRC = 0.5 K |
| Tfus | 147.4 | K | N/A | Gragson, Greenlee, et al., 1955 | Uncertainty assigned by TRC = 0.5 K |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Gas Chromatography, NIST Subscription Links, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| 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 | J.VOTH UNIV. OF CALIFORNIA, DAVIS, CALIFORNIA, 95616, USA |
| NIST MS number | 26669 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), NIST Subscription Links, 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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Squalane | 60. | 712. | Bogoslovsky, Anvaer, et al., 1978 | |
| Packed | Squalane | 80. | 714. | Bogoslovsky, Anvaer, et al., 1978 | |
| Capillary | Squalane | 60. | 712.5 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 80. | 713.7 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Squalane | 712. | Chen, 2008 | Program: not specified |
References
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Turnbull and Wallis, 1956
Turnbull; Wallis,
J. Org. Chem., 1956, 21, 663. [all data]
Gragson, Greenlee, et al., 1955
Gragson, J.T.; Greenlee, K.W.; Derfer, J.M.; Boord, C.E.,
Cyclopropane Hydrocarbons from γ-Bromo Ethers,
J. Org. Chem., 1955, 20, 275. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G.,
Use of retention increments for identification and correlation of saturated and unsaturated cyclopropane hydrocarbons by means of Kovats indices,
Anal. Chem., 1973, 45, 9, 1647-1658, https://doi.org/10.1021/ac60331a021
. [all data]
Chen, 2008
Chen, H.-F.,
Quantitative prediction of gas chromatography retention indices with support vector machines, radial basis neutral networks and multiple linear regression,
Anal. Chim. Acta, 2008, 609, 1, 24-36, https://doi.org/10.1016/j.aca.2008.01.003
. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, NIST Subscription Links, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.