1H-Indene, 2,3-dihydro-1,1-dimethyl-
- Formula: C11H14
- Molecular weight: 146.2289
- IUPAC Standard InChI: InChI=1S/C11H14/c1-11(2)8-7-9-5-3-4-6-10(9)11/h3-6H,7-8H2,1-2H3
- IUPAC Standard InChIKey: UTTMVTDJCFSOFF-UHFFFAOYSA-N
- CAS Registry Number: 4912-92-9
- 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, 1,1-dimethyl-; 1,1-Dimethylindan; 1,1-Dimethylindane; 1,1-Dimethyl-(2,3-dihydroindene); 1,1-Dimethyl-2,3-dihydro-1H-indene
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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 | -0.45 ± 0.24 | kcal/mol | N/A | Smith, Gammon, et al., 1982 | Value 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. |
| ΔfH°gas | -0.38 ± 0.45 | kcal/mol | N/A | Good, 1971 | Value 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. |
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:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C11H14+ (ion structure unspecified)
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.47 | CTS | Pitt, 1970 | RDSH |
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 | 1090. | 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, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 100. | 1095. | Vodenkova, Leol'ko, et al., 2005 | He; Column length: 50. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1081. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Gas Chromatography, Notes
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]
Pitt, 1970
Pitt, C.G.,
Hyperconjugation: An alternative to the concept of the pπ-dπ bond in Group IV chemistry,
J. Organomet. Chem., 1970, 23, 35. [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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- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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