1H-Indene, 2,3-dihydro-4,6-dimethyl-

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Gas 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: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-1.4 ± 0.41kcal/molN/AGood, 1971Value computed using ΔfHliquid° value of -63.7±1.6 kj/mol from Good, 1971 and ΔvapH° value of 57.91±0.41 kj/mol from missing citation.

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Δfliquid-15.23 ± 0.38kcal/molCcbGood, 1971ALS
Quantity Value Units Method Reference Comment
Δcliquid-1497.54 ± 0.36kcal/molCcbGood, 1971Corresponding Δfliquid = -15.23 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid70.60cal/mol*KN/ALee-Bechtold, Finke, et al., 1981DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
57.58298.15Lee-Bechtold, Finke, et al., 1981T = 10 to 400 K.; DH

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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Ttriple256.45KN/ALee-Bechtold, Finke, et al., 1981, 2Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Δvap13.84 ± 0.098kcal/molVOsborn and Scott, 1978ALS
Δvap13.8 ± 0.1kcal/molIP,EBOsborn and Scott, 1978, 2Based on data from 313. to 467. K.; AC

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
13.6328.A,IP,EBStephenson and Malanowski, 1987Based on data from 313. to 467. K. See also Osborn and Scott, 1978, 2.; AC
13.5328.A,IP,EBStephenson and Malanowski, 1987Based on data from 313. to 363. K. See also Osborn and Scott, 1978, 2.; AC
12.0430.A,IP,EBStephenson and Malanowski, 1987Based on data from 415. to 467. K. See also Osborn and Scott, 1978, 2.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
3.0786256.45Lee-Bechtold, Finke, et al., 1981DH
3.078256.5Domalski and Hearing, 1996AC

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:


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 4238

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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

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryPetrocol DH1235.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C

Lee's RI, non-polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryDB-5212.38Wang, Fingas, et al., 199430. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, 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 indan and seven alkylindans, J. Chem. Thermodyn., 1971, 3, 711-717. [all data]

Lee-Bechtold, Finke, et al., 1981
Lee-Bechtold, S.H.; Finke, H.L.; Messerly, J.F.; Scott, D.W., Thermodynamic properties of methyl-substituted indans, J. Chem. Thermodyn., 1981, 13, 213-228. [all data]

Lee-Bechtold, Finke, et al., 1981, 2
Lee-Bechtold, S.H.; Finke, H.L.; Messerly, J.F.; Scott, D.W., Thermodynamic properties of methyl-substitued indans, J. Chem. Thernodyn., 1981, 13, 213-28. [all data]

Osborn and Scott, 1978
Osborn, A.G.; Scott, D.W., J. Chem. Thermodyn., 1978, 10, 619. [all data]

Osborn and Scott, 1978, 2
Osborn, A.G.; Scott, D.W., Vapor-pressure and enthalpy of vaporization of indan and five methyl-substituted indans, The Journal of Chemical Thermodynamics, 1978, 10, 7, 619-628, https://doi.org/10.1016/0021-9614(78)90102-7 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S., Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane, J. Hi. Res. Chromatogr., 1992, 15, 2, 105-120, https://doi.org/10.1002/jhrc.1240150211 . [all data]

Wang, Fingas, et al., 1994
Wang, Z.; Fingas, M.; Li, K., Fractionation of a light crude oil and identification and quantitation of aliphatic, aromatic, and biomarker comopunds by GC-FID and GC-MS, Part II, J. Chromatogr. Sci., 1994, 32, 9, 367-382, https://doi.org/10.1093/chromsci/32.9.367 . [all data]


Notes

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