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Cyclopropane, ethyl-

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Condensed phase thermochemistry data

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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafliquid-5.92 ± 0.19kcal/molCcbGood, 1971 
Quantity Value Units Method Reference Comment
Deltacliquid-805.91 ± 0.18kcal/molCcbGood, 1971Corresponding «DELTA»fliquid = -5.92 kcal/mol (simple calculation by NIST; no Washburn corrections)
Deltacliquid-808.8kcal/molCmFierens and Nasielski, 1962Corresponding «DELTA»fliquid = -3.0 kcal/mol (simple calculation by NIST; no Washburn corrections)

Phase change data

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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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director

Quantity Value Units Method Reference Comment
Tboil309.1 ± 0.8KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus123.87KN/AAnonymous, 1958Uncertainty assigned by TRC = 0.06 K; TRC
Tfus123.88KN/AAnonymous, 1958Uncertainty assigned by TRC = 0.03 K; TRC
Tfus123.74KN/AVan Volkenburgh, Greenlee, et al., 1949Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC
Tfus123.75KN/AAnonymous, 1947Uncertainty assigned by TRC = 0.2 K; TRC
Quantity Value Units Method Reference Comment
Ttriple123.55KN/APomerantz, Fookson, et al., 1954Uncertainty assigned by TRC = 0.2 K; TRC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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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: 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

Hydrogen + Cyclopropane, ethylidene- = Cyclopropane, ethyl-

By formula: H2 + C5H8 = C5H10

Quantity Value Units Method Reference Comment
Deltar-37.04 ± 0.15kcal/molChydTurner, Goebel, et al., 1968liquid phase; solvent: Acetic acid

Hydrogen + Cyclopropane,ethenyl- = Cyclopropane, ethyl-

By formula: H2 + C5H8 = C5H10

Quantity Value Units Method Reference Comment
Deltar-35.5 ± 1.0kcal/molChydChesick, 1963liquid phase; solvent: Acetic acid

Gas phase ion energetics data

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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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi

View reactions leading to C5H10+ (ion structure unspecified)

Ionization energy determinations

IE (eV) Method Reference Comment
8.96 ± 0.05EIHolmes and Lossing, 1991LL
9.50EILossing, 1972LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
C4H7+10.34CH3EILossing, 1972LLK

IR Spectrum

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 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
State gas
Instrument HP-GC/MS/IRD

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Mass 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.
NIST MS number 19072

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Gas Chromatography

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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: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedSqualane20.508.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane27.508.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane50.510.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane67.512.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane70.511.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane86.515.Bogoslovsky, Anvaer, et al., 1978 
PackedSqualane90.516.Bogoslovsky, Anvaer, et al., 1978 
CapillarySqualane50.510.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.512.Rijks and Cramers, 1974N2; Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane120.508.3Schomburg and Dielmann, 1973Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.511.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.512.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
CapillarySqualane70.512.Cramers, Rijks, et al., 1970Column length: 100. m; Column diameter: 0.25 mm
PackedSqualane27.509.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane49.510.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane67.512.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm
PackedSqualane86.515.Hively and Hinton, 1968He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-5450.509.Xieyun, Maoqi, et al., 1996N2; Column length: 40. m; Column diameter: 0.25 mm

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-1550.Ciccioli, Cecinato, et al., 199260. m/0.32 mm/1.2 «mu»m, He, 30. C @ 10. min, 3. K/min; Tend: 240. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillarySqualane508.Chen, 2008Program: not specified
CapillaryMethyl Silicone510.Feng and Mu, 2007Program: not specified
CapillaryPolydimethyl siloxanes506.Zenkevich, Chupalov, et al., 1996Program: not specified
CapillaryMethyl Silicone510.Zenkevich, 1996Program: not specified

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

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

Good, 1971
Good, W.D., The enthalpies of combustion and formation of some alkyl cyclopropanes, J. Chem. Thermodyn., 1971, 3, 539-546. [all data]

Fierens and Nasielski, 1962
Fierens, P.J.C.; Nasielski, J., Chaleurs de combustion de derives cyclopropaniques et pouvoir de conjugaison du groupe cyclopropyle, Bull. Soc. Chim. Belg., 1962, 71, 187-202. [all data]

Anonymous, 1958
Anonymous, R., , Am. Pet. Inst. Res. Proj. 45, Ohio State Univ., 1958. [all data]

Van Volkenburgh, Greenlee, et al., 1949
Van Volkenburgh, R.; Greenlee, K.W.; Derfer, J.M.; Boord, C.E., The Synthesis of Some Cyclopropane Hydrocarbons From Methyl Cyclopropyl Ketone, J. Am. Chem. Soc., 1949, 71, 172-5. [all data]

Anonymous, 1947
Anonymous, R., , Am. Pet. Inst. Res. Proj. 45, Ohio State Univ., 1947. [all data]

Pomerantz, Fookson, et al., 1954
Pomerantz, P.; Fookson, A.; Mears, T.W.; Rothberg, S.; Howard, F.L., Synth. and Phys. Prop. of Several Aliphatic and Alicyclic Hydrocarbons hydrocarbons, J. Res. Natl. Bur. Stand. (U. S.), 1954, 52, 59-65. [all data]

Turner, Goebel, et al., 1968
Turner, R.B.; Goebel, P.; Mallon, B.J.; Doering, W.E.; Coburn, J.F., Jr.; Pomerantz, M., Heats of hydrogenation. VIII. Compounds with three- and four-membered rings, J. Am. Chem. Soc., 1968, 90, 4315-4322. [all data]

Chesick, 1963
Chesick, J.P., Kinetics of the thermal interconversion of 2-methylmethylenecyclopropane and ethylidenecyclopropane, J. Am. Chem. Soc., 1963, 85, 2720-2723. [all data]

Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P., Ionization energies of homologous organic compounds and correlation with molecular size, Org. Mass Spectrom., 1991, 26, 537. [all data]

Lossing, 1972
Lossing, F.P., Free radicals by mass spectrometry. XLV. Ionization potentials and heats of formation of C3H3, C3H5, and C4H7 radicals and ions, Can. J. Chem., 1972, 50, 3973. [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]

Rijks and Cramers, 1974
Rijks, J.A.; Cramers, C.A., High precision capillary gas chromatography of hydrocarbons, Chromatographia, 1974, 7, 3, 99-106, https://doi.org/10.1007/BF02269819 . [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]

Cramers, Rijks, et al., 1970
Cramers, C.A.; Rijks, J.A.; Pacáková, V.; de Andrade, I.R., The application of precision gas chromatography to the identification of types of hydrocarbons, J. Chromatogr., 1970, 51, 13-21, https://doi.org/10.1016/S0021-9673(01)96835-9 . [all data]

Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E., Variation of the retention index with temperature on squalane substrates, J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203 . [all data]

Xieyun, Maoqi, et al., 1996
Xieyun, H.; Maoqi, C.; Shiyan, Y., Gas Chromatographic analysis during the process of heptaldehyde production using 1-hexene, Chin. J. Chromatogr., 1996, 14, 4, 291-293. [all data]

Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A., Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation, J. Hi. Res. Chromatogr., 1992, 15, 2, 75-84, https://doi.org/10.1002/jhrc.1240150205 . [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]

Feng and Mu, 2007
Feng, H.; Mu, L.-L., Quantitative structure-retention relationships for alkane and its derivatives based on electrotopological state index and molecular shape index, Chem. Ind. Engineering (Chinese), 2007, 24, 2, 161-168. [all data]

Zenkevich, Chupalov, et al., 1996
Zenkevich, I.G.; Chupalov, A.A.; Herzschuh, R., Correlation of the Increments of Gas Chromatographic Retention Indices with the Differences of Innermolecular Energies of Reagents and Products of Chemical Reactions, Zh. Org. Khim. (Rus.), 1996, 32, 11, 1685-1691. [all data]

Zenkevich, 1996
Zenkevich, I.G., Informational Maitenance of Gas Chromatographic Identification of Organic Compounds in Ecoanalytical Investigations, Z. Anal. Chem., 1996, 51, 11, 1140-1148. [all data]


Notes

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References