1H-Indene, 2,3-dihydro-1,1-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-0.45 ± 0.24kcal/molN/ASmith, Gammon, et al., 1982Value computed using ΔfHliquid° value of -53.8±1 kj/mol from Smith, Gammon, et al., 1982 and ΔvapH° value of 51.94±0.29 kj/mol from missing citation.
Δfgas-0.38 ± 0.45kcal/molN/AGood, 1971Value computed using ΔfHliquid° value of -53.5±1.9 kj/mol from Good, 1971 and ΔvapH° value of 51.94±0.29 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-12.86 ± 0.25kcal/molCcbSmith, Gammon, et al., 1982ALS
Δfliquid-12.79 ± 0.45kcal/molCcbGood, 1971ALS
Quantity Value Units Method Reference Comment
Δcliquid-1499.91 ± 0.20kcal/molCcbSmith, Gammon, et al., 1982Corresponding Δfliquid = -12.86 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δcliquid-1499.97 ± 0.42kcal/molCcbGood, 1971Corresponding Δfliquid = -12.80 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid68.86cal/mol*KN/ALee-Bechtold, Finke, et al., 1981DH

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
59.61298.15Lee-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:
BS - Robert L. Brown and Stephen E. Stein
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
Tboil464.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Ttriple227.35KN/ALee-Bechtold, Finke, et al., 1981, 2Uncertainty assigned by TRC = 0.01 K; TRC
Quantity Value Units Method Reference Comment
Δvap12.41 ± 0.069kcal/molVOsborn and Scott, 1978ALS
Δvap12.4 ± 0.07kcal/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
12.0328.A,IP,EBStephenson and Malanowski, 1987Based on data from 313. to 348. K. See also Osborn and Scott, 1978, 2.; AC
12.1328.A,IP,EBStephenson and Malanowski, 1987Based on data from 313. to 467. K.; AC
11.0402.A,IP,EBStephenson and Malanowski, 1987Based on data from 387. to 467. K. See also Osborn and Scott, 1978, 2.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
2.8664227.35Lee-Bechtold, Finke, et al., 1981DH
2.866227.4Domalski 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:


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 DH1090.White, Hackett, et al., 1992100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type Active phase Temperature (C) I Reference Comment
CapillarySE-30100.1095.Vodenkova, Leol'ko, et al., 2005He; Column length: 50. m; Column diameter: 0.25 mm

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

View large format table.

Column type Active phase I Reference Comment
CapillaryOV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.1081.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

References

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

Smith, Gammon, et al., 1982
Smith, N.K.; Gammon, B.E.; Good, W.D., Thermodynamics of organic compounds, Gov. Rep. Announce. Index (U.S.). Avail. NTIS AD-A110430, 1981., 1982, 82, 2252. [all data]

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]

Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [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]

Vodenkova, Leol'ko, et al., 2005
Vodenkova, N.N.; Leol'ko, A.S.; Nesterova, T.N.; Levanova, S.V., Kovats indices and normal boiling points of alkylbenzenes, Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol., 2005, 48, 10, 33-39. [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]


Notes

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