1H-Indene, 2,3-dihydro-4,7-dimethyl-
- Formula: C11H14
- Molecular weight: 146.2289
- IUPAC Standard InChI: InChI=1S/C11H14/c1-8-6-7-9(2)11-5-3-4-10(8)11/h6-7H,3-5H2,1-2H3
- IUPAC Standard InChIKey: IWHKMCQFAMHMSX-UHFFFAOYSA-N
- CAS Registry Number: 6682-71-9
- 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: Indan, 4,7-dimethyl-; 4,7-Dimethylindan; 2,3-Dihydro-4,7-dimethyl-1H-indene; 4,7-Dimethyl-(2,3-dihydroindene); 4,7-Dimethylindane
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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 |
|---|---|---|---|---|---|
| ΔfH°gas | -7.4 ± 1.7 | kJ/mol | N/A | Good, 1971 | Value computed using ΔfHliquid° value of -65.7±1.6 kj/mol from Good, 1971 and ΔvapH° value of 58.29±0.44 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 |
|---|---|---|---|---|---|
| ΔfH°liquid | -65.7 ± 1.6 | kJ/mol | Ccb | Good, 1971 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -6263.7 ± 1.5 | kJ/mol | Ccb | Good, 1971 | Corresponding ΔfHºliquid = -65.69 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 293.2 | J/mol*K | N/A | Lee-Bechtold, Finke, et al., 1981 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 241.5 | 298.15 | Lee-Bechtold, Finke, et al., 1981 | T = 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 |
|---|---|---|---|---|---|
| Ttriple | 272.630 | K | N/A | Lee-Bechtold, Finke, et al., 1981, 2 | Uncertainty assigned by TRC = 0.005 K; TRC |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔvapH° | 58.29 ± 0.44 | kJ/mol | V | Osborn and Scott, 1978 | ALS |
| ΔvapH° | 58.3 ± 0.4 | kJ/mol | IP,EB | Osborn and Scott, 1978, 2 | Based on data from 313. - 470. K.; AC |
Enthalpy of vaporization
| ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 54.7 | 328. | A,IP,EB | Stephenson and Malanowski, 1987 | Based on data from 313. - 470. K. See also Osborn and Scott, 1978, 2.; AC |
| 56.9 | 328. | A,IP,EB | Stephenson and Malanowski, 1987 | Based on data from 313. - 363. K. See also Osborn and Scott, 1978, 2.; AC |
| 50.6 | 432. | A,IP,EB | Stephenson and Malanowski, 1987 | Based on data from 417. - 470. K. See also Osborn and Scott, 1978, 2.; AC |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 13.517 | 272.635 | Lee-Bechtold, Finke, et al., 1981 | DH |
| 13.52 | 272.7 | Domalski and Hearing, 1996 | AC |
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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Additional Data
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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. |
|---|---|
| NIST MS number | 4239 |
UV/Visible 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.
Spectrum
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Additional Data
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Download spectrum in JCAMP-DX format.
| Source | Kusakov, et al., 1963 |
|---|---|
| Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
| Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
| Source reference | RAS UV No. 20053 |
| Instrument | unknown |
| Boiling point | 94-97/ 10 mm |
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
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH | 1248. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH | 1253. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Lee's RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 202.26 | Wang, Fingas, et al., 1994 | 30. 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), UV/Visible spectrum, 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]
Kusakov, et al., 1963
Kusakov, M.M., et al.,
Ultraviolet Absorption Spectra of Aromatic Hydrocarbons, 1963, 153. [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]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [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
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Ttriple Triple point temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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