Indane
- Formula: C9H10
- Molecular weight: 118.1757
- IUPAC Standard InChIKey: PQNFLJBBNBOBRQ-UHFFFAOYSA-N
- CAS Registry Number: 496-11-7
- 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: 1H-Indene, 2,3-dihydro-; Indan; Benzocyclopentane; Hydrindene; Indene, 2,3-dihydro-; 1,2-Hydrindene; 2,3-Dihydroindene; 2,3-Dihydro-1H-indene; Hydrindonaphthene; NSC 5292
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
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:
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 14.6 ± 0.50 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB |
ΔfH°gas | 14.5 ± 0.36 | kcal/mol | N/A | Good, 1971 | Value computed using ΔfHliquid° value of 11.7±1.5 kj/mol from Good, 1971 and ΔvapH° value of 49.03±0.2 kj/mol from missing citation.; DRB |
ΔfH°gas | 14.3 ± 0.48 | kcal/mol | N/A | Stull, Sinke, et al., 1961 | Value computed using ΔfHliquid° value of 10.7±2 kj/mol from Stull, Sinke, et al., 1961 and ΔvapH° value of 49.03±0.2 kj/mol from missing citation.; DRB |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.285 | 50. | Dorofeeva O.V., 1989 | GT |
12.05 | 100. | ||
15.59 | 150. | ||
20.16 | 200. | ||
28.279 | 273.15 | ||
31.25 ± 0.24 | 298.15 | ||
31.470 | 300. | ||
43.059 | 400. | ||
53.040 | 500. | ||
61.166 | 600. | ||
67.768 | 700. | ||
73.198 | 800. | ||
77.725 | 900. | ||
81.534 | 1000. | ||
84.766 | 1100. | ||
87.517 | 1200. | ||
89.873 | 1300. | ||
91.900 | 1400. | ||
93.647 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
46.281 ± 0.093 | 435.65 | Hossenlopp I.A., 1981 | GT |
47.598 ± 0.093 | 448.15 | ||
50.005 ± 0.093 | 473.15 | ||
52.390 ± 0.093 | 498.15 | ||
54.582 ± 0.093 | 523.15 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
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:
DRB - Donald R. Burgess, Jr.
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 | 2.80 ± 0.43 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB |
ΔfH°liquid | 2.80 ± 0.35 | kcal/mol | Ccb | Good, 1971 | ALS |
ΔfH°liquid | 2.56 ± 0.47 | kcal/mol | Ccb | Stull, Sinke, et al., 1961 | see Stull, Sinke, et al., 1959; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1190.84 ± 0.33 | kcal/mol | Ccb | Good, 1971 | Corresponding ΔfHºliquid = 2.80 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1190.63 ± 0.47 | kcal/mol | Ccb | Stull, Sinke, et al., 1961 | see Stull, Sinke, et al., 1959; Corresponding ΔfHºliquid = 2.59 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 56.011 | cal/mol*K | N/A | Stull, Sinke, et al., 1961 | DH |
S°liquid | 56.009 | cal/mol*K | N/A | Stull, Sinke, et al., 1959, 2 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.471 | 298.15 | Stull, Sinke, et al., 1961 | T = 15 to 320 K. Premelting occurs at 170 K to melting.; DH |
45.471 | 298.15 | Stull, Sinke, et al., 1959, 2 | T = 15 to 320 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
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
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
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 |
---|---|---|---|---|---|
Tboil | 450. ± 2. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 221.46 | K | N/A | Boord, Perilstein, et al., 1944 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 221.77 | K | N/A | Stull, Sinke, et al., 1959, 3 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 684.9 ± 0.5 | K | N/A | Tsonopoulos and Ambrose, 1995 | |
Tc | 684.9 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 684.9 | K | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 39.0 ± 0.4 | atm | N/A | Tsonopoulos and Ambrose, 1995 | |
Pc | 38.98 | atm | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 0.30 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 11.7 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 11.8 ± 0.24 | kcal/mol | Review | Roux, Temprado, et al., 2008 | There are sufficient high-quality literature values to make a good evaluation with a high degree of confidence. In general, the evaluated uncertainty limits are on the order of (0.5 to 2.5) kJ/mol.; DRB |
ΔvapH° | 11.7 | kcal/mol | C | Hossenlopp and Scott, 1981 | AC |
ΔvapH° | 11.72 ± 0.048 | kcal/mol | V | Osborn and Scott, 1978 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
9.472 | 451. | N/A | Majer and Svoboda, 1985 | |
10.5 | 389. | A | Stephenson and Malanowski, 1987 | Based on data from 374. to 466. K.; AC |
10.8 | 370. | N/A | Ambrose and Sprake, 1976 | Based on data from 355. to 482. K.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
382. to 451. | 15.6 | 0.2866 | 684.9 | Majer and Svoboda, 1985 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.055 | 221.77 | Stull, Sinke, et al., 1959, 2 | DH |
2.1 | 221.8 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.266 | 221.77 | Stull, Sinke, et al., 1959, 2 | DH |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.187 | 73.82 | crystaline, II | crystaline, I | Stull, Sinke, et al., 1961 | DH |
2.055 | 221.77 | crystaline, I | liquid | Stull, Sinke, et al., 1961 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
2.526 | 73.82 | crystaline, II | crystaline, I | Stull, Sinke, et al., 1961 | DH |
9.266 | 221.77 | crystaline, I | liquid | Stull, Sinke, et al., 1961 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -23.63 ± 0.33 | kcal/mol | Chyd | Hill, Morton, et al., 1980 | liquid phase |
ΔrH° | -23. | kcal/mol | Eqk | Frye and Weitkamp, 1969 | gas phase |
ΔrH° | -21.63 ± 0.14 | kcal/mol | Eqk | Naidus and Mueller, 1950 | gas phase; At 375-525 K |
By formula: 6H2 + 2C9H10 = C9H16 + C9H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -90.12 ± 0.50 | kcal/mol | Chyd | Dolliver, Gresham, et al., 1937 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -91.6 ± 0.5 kcal/mol; At 355 °K |
By formula: 3H2 + C9H10 = C9H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -45.8 | kcal/mol | Eqk | Frye and Weitkamp, 1969 | gas phase |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
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:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C9H10+ (ion structure unspecified)
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.6 ± 0.1 | EI | Koppel, Schwarz, et al., 1974 | LLK |
8.60 ± 0.01 | EI | Rakita, Hoffman, et al., 1973 | LLK |
8.52 | CTS | Pitt, 1970 | RDSH |
9.05 ± 0.05 | EI | Meier, Heiss, et al., 1968 | RDSH |
8.50 | PE | Santiago, Gandour, et al., 1978 | Vertical value; LLK |
8.46 ± 0.03 | PE | Heilbronner, Hoshi, et al., 1976 | Vertical value; LLK |
8.45 ± 0.02 | PE | Maier and Turner, 1973 | Vertical value; LLK |
8.46 | PE | Brogli, Giovannini, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C9H9+ | 12.1 ± 0.1 | H | EI | Koppel, Schwarz, et al., 1974 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Gas Chromatography, References, Notes
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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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. |
---|---|
Origin | Chemical Concepts |
NIST MS number | 152494 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes
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
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 150. | 1050.8 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 1066.7 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 0. | 982. | Skrbic and Vojinovic-Miloradov, 1994 | |
Capillary | OV-101 | 145. | 1059. | Grinberg, Tokarev, et al., 1984 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 145. | 1058. | Grinberg, Tokarev, et al., 1984 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 106. | 1016. | Kugucheva and Mashinsky, 1983 | He; Column length: 100. m |
Capillary | Squalane | 96. | 1012. | Kugucheva and Mashinsky, 1983 | He; Column length: 100. m |
Capillary | SE-30 | 70. | 1015.7 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | SE-30 | 130. | 1043. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 150. | 1052. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 1018. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | Squalane | 86. | 1011.2 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 1014.5 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 1027.4 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 120. | 1036.1 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 140. | 1046.0 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Packed | Squalane | 100. | 1017. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Capillary | Squalane | 86. | 1011.0 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 1011.2 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 100. | 1018. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 110. | 1019. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 90. | 1011. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 92. | 1014. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 86. | 1011.2 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 1014.5 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Packed | SE-30 | 110. | 1033. | Mitra, Mohan, et al., 1974 | N2, Chrom W; Column length: 6.1 m |
Capillary | Squalane | 100. | 1018. | Mitra, Mohan, et al., 1974, 2 | H2; Column length: 50. m; Column diameter: 0.2 mm |
Capillary | SE-30 | 65. | 1011.8 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 1051. | Buchin, Salmon, et al., 2002 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 3. K/min, 230. C @ 2. min |
Capillary | DB-5 | 1034.0 | Wang, Fingas, et al., 1994 | 30. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C |
Capillary | OV-101 | 1013. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
Capillary | Apiezon L | 1058. | Louis, 1971 | N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 1019.45 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
Capillary | DB-1 | 1022. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-20M | 70. | 1355.9 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | PONA | 1020. | Vendeuvre, Bertoncini, et al., 2005 | 50. m/0.2 mm/0.5 μm, 2. K/min; Tstart: 50. C |
Capillary | PONA | 1030. | Vendeuvre, Bertoncini, et al., 2005 | 50. m/0.2 mm/0.5 μm, 5. K/min; Tstart: 50. C |
Capillary | Petrocol DH | 1024.5 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | DB-5 | 1027.4 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1032.4 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1035.5 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1047.8 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | OV-1 | 1017.4 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-5 | 1027.4 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1032.4 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 1035.5 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | Petrocol DH | 1015.41 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 1015.61 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 1016. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | DB-5 | 1028. | Morinaga, Hara, et al., 1990 | 15. m/0.53 mm/1.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 90. C |
Capillary | DB-5 | 1036. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Capillary | Ultra-1 | 1007.28 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 1013.03 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-1 | 1016.71 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 1030.81 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 1036.70 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | Ultra-2 | 1041.08 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
Capillary | OV-101 | 1013. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 1039.25 | Hassoun, Pilling, et al., 1999 | 50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min) |
Packed | SE-30 | 1038. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 1382. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | DB-Wax | 1365. | Shiratsuchi, Shimoda, et al., 1994 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 120. | 1046. | Nabivach and Gerasimenko, 1996 | |
Capillary | OV-101 | 100. | 1027. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 100. | 1027. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 120. | 1036. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 120. | 1036. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | Squalane | 110. | 1019. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | Polydimethyl siloxane | 110. | 1032. | Ferrand, 1962 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 1026. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
Capillary | HP-5 MS | 1029. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min |
Capillary | Petrocol DH | 1020. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | Petrocol DH | 1023. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | PONA | 1027. | Zhang, Ding, et al., 2009 | 50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min |
Capillary | RTX-1 | 1002. | Arey J.S., Nelson R.K., et al., 2005 | 7. m/0.1 mm/0.4 μm, 35. C @ 5. min, 0.66 K/min; Tend: 180. C |
Capillary | BP-1 | 1033. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | OV-1 | 1017. | Orav, Kailas, et al., 1999 | 2. K/min; Tstart: 50. C; Tend: 160. C |
Capillary | Ultra-1 | 1022. | Elizalde-González, Hutfliess, et al., 1996 | 50. m/0.2 mm/0.33 μm, H2, 3. K/min, 300. C @ 35. min; Tstart: 60. C |
Capillary | DB-1 | 1029. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1034. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1041. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polydimethyl siloxane with 5 % Ph groups | 1048. | Robinson, Adams, et al., 2012 | Program: not specified |
Capillary | Polymethylsiloxane, (PMS-20000) | 1016. | Cornwell and Cordano, 2003 | Program: not specified |
Capillary | DB-1 | 1013. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 1013. | Ciccioli, Brancaleoni, et al., 1993 | 60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
Capillary | Polydimethyl siloxane, unknown content of Ph-groups | 1036. | Geldon, 1989 | Program: not specified |
Capillary | Polydimethyl siloxane, unknown content of Ph-groups | 1040. | Geldon, 1989 | Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1014. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1018. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1021. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Innowax | 1370. | Siristova, Prinosilova, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 8. K/min, 250. C @ 2.75 min |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1356. | Cornwell and Cordano, 2003 | Program: not specified |
Capillary | DB-Wax | 1365. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | DB-Wax | 1377. | Peng, Yang, et al., 1991 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 169.04 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; Tend: 310. C |
Capillary | DB-5 | 169.1 | Durlak, Biswas, et al., 1998 | 30. m/0.25 mm/0.25 μm, 15. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | HT-5 | 168.83 | Williams and Williams, 1998 | 40. C @ 8. min, 5. K/min, 400. C @ 20. min; Column length: 25. m; Column diameter: 0.32 mm |
Capillary | DB-5 | 170.21 | Williams and Horne, 1995 | He, 60. C @ 2. min, 5. K/min; Column length: 25. m; Column diameter: 0.3 mm; Tend: 270. C |
Capillary | DB-5 | 168.87 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 165.5 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
Capillary | HP-5MS | 167.82 | Cheng, Liu, et al., 2005 | 30. m/0.30 mm/0.25 μm, He; Program: 50 0C (2 min) 8 0C/min -> 120 0C (3 min) 10 0C/min -> 230 0C |
Capillary | Methyl Silicone | 168.87 | Eckel, Ross, et al., 1993 | Program: not specified |
Capillary | Methyl Silicone | 169.87 | Eckel, Ross, et al., 1993 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics 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.
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Rostad and Pereira, 1986
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Haynes and Pitzer, 1985
Haynes, P.C., Jr.; Pitzer, E.W.,
Disengaging solutes in shale- and petroleum-derived jet fuels by altering GC programmed temperature rates,
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Gas chromatographic retention characteristics of bicyclic aromatic hydrocarbons,
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Tian, S.,
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Notes
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- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition 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 ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions 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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