Pyridine, 2-methyl-
- Formula: C6H7N
- Molecular weight: 93.1265
- IUPAC Standard InChIKey: BSKHPKMHTQYZBB-UHFFFAOYSA-N
- CAS Registry Number: 109-06-8
- 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: 2-Picoline; α-Methylpyridine; α-Picoline; o-Picoline; 2-Methylpyridine; Picoline, α; Rcra waste number U191; o-Methylpyridine; NSC 3409
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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, IR Spectrum, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -6.33 | kcal/mol | N/A | Kosorotov, Zemlyakova, et al., 1978 | Value computed using ΔfHliquid° value of -69.0 kj/mol from Kosorotov, Zemlyakova, et al., 1978 and ΔvapH° value of 42.5 kj/mol from Scott, Hubbard, et al., 1963.; DRB |
ΔfH°gas | 23.65 ± 0.21 | kcal/mol | Ccb | Scott, Hubbard, et al., 1963 | ALS |
ΔfH°gas | 24.36 ± 0.31 | kcal/mol | Cm | Andon, Cox, et al., 1957 | ALS |
ΔfH°gas | 24.38 ± 0.31 | kcal/mol | Ccb | Cox, Challoner, et al., 1954 | ALS |
ΔfH°gas | 21.0 | kcal/mol | N/A | Constam and White, 1903 | Value computed using ΔfHliquid° value of 45.3 kj/mol from Constam and White, 1903 and ΔvapH° value of 42.5 kj/mol from Scott, Hubbard, et al., 1963.; DRB |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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:
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 | -16.49 | kcal/mol | Ccb | Kosorotov, Zemlyakova, et al., 1978 | impure compound; ALS |
ΔfH°liquid | 13.50 ± 0.18 | kcal/mol | Ccb | Scott, Hubbard, et al., 1963 | ALS |
ΔfH°liquid | 14.10 ± 0.31 | kcal/mol | Ccb | Cox, Challoner, et al., 1954 | ALS |
ΔfH°liquid | 10.82 | kcal/mol | Ccb | Constam and White, 1903 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -786.91 | kcal/mol | Ccb | Kosorotov, Zemlyakova, et al., 1978 | impure compound; ALS |
ΔcH°liquid | -816.92 ± 0.16 | kcal/mol | Ccb | Scott, Hubbard, et al., 1963 | ALS |
ΔcH°liquid | -817.52 ± 0.31 | kcal/mol | Ccb | Cox, Challoner, et al., 1954 | ALS |
ΔcH°liquid | -816.1 | kcal/mol | Ccb | Constam and White, 1903 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 52.070 | cal/mol*K | N/A | Scott, Hubbard, et al., 1963 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
37.861 | 298.15 | Scott, Hubbard, et al., 1963 | T = 12 to 370 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 402. ± 1. | K | AVG | N/A | Average of 34 out of 35 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 206. ± 3. | K | AVG | N/A | Average of 12 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 206.46 | K | N/A | Scott, Hubbard, et al., 1963, 2 | Uncertainty assigned by TRC = 0.05 K; by extrapolation of 1/f to 0.0; TRC |
Ttriple | 206.44 | K | N/A | Helm, Lanum, et al., 1958 | Uncertainty assigned by TRC = 0.03 K; measured in calorimeter at USBM, Bartlesville, OK; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 621. | K | N/A | Majer and Svoboda, 1985 | |
Tc | 621.1 | K | N/A | Kobe and Mathews, 1970 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 45.40 | atm | N/A | Kobe and Mathews, 1970 | Uncertainty assigned by TRC = 0.6000 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 2.99 | mol/l | N/A | Kobe and Mathews, 1970 | Uncertainty assigned by TRC = 0.32 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 10.2 ± 0.2 | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.645 | 402.6 | N/A | Majer and Svoboda, 1985 | |
9.85 ± 0.02 | 320. | EB | Chirico, Knipmeyer, et al., 1999 | Based on data from 308. to 441. K.; AC |
9.27 ± 0.02 | 360. | EB | Chirico, Knipmeyer, et al., 1999 | Based on data from 308. to 441. K.; AC |
8.70 ± 0.02 | 400. | EB | Chirico, Knipmeyer, et al., 1999 | Based on data from 308. to 441. K.; AC |
8.05 ± 0.07 | 440. | EB | Chirico, Knipmeyer, et al., 1999 | Based on data from 308. to 441. K.; AC |
10.0 | 307. | EB | Lencka, 1990 | Based on data from 292. to 403. K.; AC |
11.2 | 230. | A | Stephenson and Malanowski, 1987 | Based on data from 209. to 245. K.; AC |
8.72 | 444. | A | Stephenson and Malanowski, 1987 | Based on data from 429. to 537. K.; AC |
8.46 | 536. | A | Stephenson and Malanowski, 1987 | Based on data from 521. to 621. K.; AC |
9.35 | 367. | EB,IP | Stephenson and Malanowski, 1987 | Based on data from 352. to 445. K. See also Osborn and Douslin, 1968.; AC |
9.35 | 367. | EB | Stephenson and Malanowski, 1987 | Based on data from 352. to 442. K. See also Rysselberghe and Fristrom, 1945.; AC |
9.94 ± 0.02 | 313. | C | Majer, Svoboda, et al., 1984 | AC |
9.73 ± 0.02 | 328. | C | Majer, Svoboda, et al., 1984 | AC |
9.51 ± 0.02 | 343. | C | Majer, Svoboda, et al., 1984 | AC |
9.15 ± 0.02 | 368. | C | Majer, Svoboda, et al., 1984 | AC |
9.51 | 352. | MG | Herington and Martin, 1953 | Based on data from 337. to 403. K.; AC |
9.27 ± 0.02 | 359. | C | Rysselberghe and Fristrom, 1945 | AC |
9.01 ± 0.02 | 379. | C | Rysselberghe and Fristrom, 1945 | AC |
8.65 ± 0.02 | 402. | C | Rysselberghe and Fristrom, 1945 | 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 |
---|---|---|---|---|---|
298. to 403. | 14.07 | 0.2879 | 621. | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
352.94 to 441.51 | 4.13042 | 1401.681 | -63.162 | Scott, Hubbard, et al., 1963 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.3241 | 206.45 | Scott, Hubbard, et al., 1963 | DH |
2.32 | 206.5 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
11.26 | 206.45 | Scott, Hubbard, et al., 1963 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, 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:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar
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
C6H6N- + =
By formula: C6H6N- + H+ = C6H7N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 376.8 ± 3.1 | kcal/mol | G+TS | DePuy, Kass, et al., 1988 | gas phase; Acid: 2-methylpyridine. Between EtOH, iPrOH; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 370.0 ± 3.0 | kcal/mol | IMRB | DePuy, Kass, et al., 1988 | gas phase; Acid: 2-methylpyridine. Between EtOH, iPrOH; B |
By formula: C6H8N+ + C6H7N = (C6H8N+ • C6H7N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.0 | kcal/mol | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 27.8 | cal/mol*K | PHPMS | Meot-Ner M. and Sieck, 1983 | gas phase; M |
By formula: Li+ + C6H7N = (Li+ • C6H7N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 46.4 ± 1.6 | kcal/mol | CIDT | Rodgers, 2001 | RCD |
By formula: Na+ + C6H7N = (Na+ • C6H7N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 30.6 ± 1.1 | kcal/mol | CIDT | Rodgers, 2001 | RCD |
By formula: K+ + C6H7N = (K+ • C6H7N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 23.4 ± 0.8 | kcal/mol | CIDT | Rodgers, 2001 | RCD |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
Data compiled as indicated in comments:
B - John E. Bartmess
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 C6H7N+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 226.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 219.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.37 ± 0.05 | EI | Zaretskii, Oren, et al., 1976 | LLK |
9.4 ± 0.1 | EI | Stefanovic and Grutzmacher, 1974 | LLK |
9.02 ± 0.03 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.26 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
9.18 | PE | Klasinc, Novak, et al., 1978 | Vertical value; LLK |
9.20 | PE | Ramsey and Walker, 1974 | Vertical value; LLK |
9.20 ± 0.05 | PE | Heilbronner, Hornung, et al., 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H6+ | 12.87 ± 0.05 | HCN | EI | Zaretskii, Oren, et al., 1976 | LLK |
C6H6N+ | 12.4 ± 0.1 | H | EI | Palmer and Lossing, 1963 | RDSH |
De-protonation reactions
C6H6N- + =
By formula: C6H6N- + H+ = C6H7N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 376.8 ± 3.1 | kcal/mol | G+TS | DePuy, Kass, et al., 1988 | gas phase; Acid: 2-methylpyridine. Between EtOH, iPrOH; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 370.0 ± 3.0 | kcal/mol | IMRB | DePuy, Kass, et al., 1988 | gas phase; Acid: 2-methylpyridine. Between EtOH, iPrOH; B |
IR Spectrum
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, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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, IR Spectrum, 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 | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291568 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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 |
---|---|---|---|---|---|
Packed | C78, Branched paraffin | 130. | 802.3 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | OV-101 | 110. | 814. | Golovnya, Kuz'menko, et al., 2000 | He; Phase thickness: 0.4 μm |
Capillary | OV-101 | 110. | 804. | Zhuravleva, 2000 | 50. m/0.3 mm/0.4 μm, He |
Packed | C78, Branched paraffin | 130. | 802.2 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Capillary | HP-1 | 60. | 799. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Capillary | HP-1 | 60. | 800. | Zhang, Li, et al., 1992 | N2; Column length: 25. m; Column diameter: 0.20 mm |
Packed | Apolane | 130. | 803. | Dutoit, 1991 | Column length: 3.7 m |
Capillary | SE-30 | 110. | 804. | Samusenko and Golovnya, 1988 | 25. m/0.32 mm/1. μm, He |
Capillary | SE-30 | 80. | 800. | Samusenko and Golovnya, 1988 | 25. m/0.32 mm/1. μm, He |
Capillary | OV-101 | 150. | 814. | Morishita, Morimoto, et al., 1986 | N2; Column length: 20. m; Column diameter: 0.23 mm |
Capillary | OV-101 | 80. | 800. | Samusenko, Svetlova, et al., 1986 | 25. m/0.25 mm/0.156 μm, He |
Capillary | OV-101 | 80. | 799. | Samusenko, Svetlova, et al., 1986 | 35. m/0.25 mm/0.125 μm, He |
Capillary | OV-101 | 80. | 799. | Samusenko, Svetlova, et al., 1986 | 35. m/0.25 mm/0.125 μm, He |
Capillary | OV-101 | 80. | 801. | Samusenko, Svetlova, et al., 1986 | 35. m/0.25 mm/0.125 μm, He |
Capillary | OV-101 | 80. | 802. | Samusenko, Svetlova, et al., 1986 | 50. m/0.25 mm/0.125 μm, He |
Capillary | Apiezon LH + KF | 100. | 816. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon LH + KF | 100. | 818. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon LH + KF | 100. | 818. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon LH + KF | 100. | 819. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon LH + KF | 100. | 819. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon LH + KF | 100. | 819. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon LH + KF | 100. | 819. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 816. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 816. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 816. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 817. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 818. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 818. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 818. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 816. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | Apiezon L + KF | 100. | 816. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | Apiezon L + KF | 100. | 818. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | Apiezon L + KF | 100. | 818. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | Apiezon L + KF | 100. | 819. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | Apiezon L + KF | 100. | 819. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Packed | SE-30 | 150. | 820. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Packed | Apiezon L | 130. | 837. | Shatts, Avots, et al., 1977 | He, Chromosorb W AW-DMCS; Column length: 2.4 m |
Packed | Apolane | 70. | 786.6 | Riedo, Fritz, et al., 1976 | He, Chromosorb; Column length: 2.4 m |
Packed | Apiezon L | 100. | 811. | Zhuravleva, Kapustin, et al., 1976 | N2 or He, Chromosorb G, AW; Column length: 2.7 m |
Packed | Apiezon L | 110. | 808. | Bark and Wheatstone, 1974 | N2, Chromosorb W AW-DCMS; Column length: 2. m |
Packed | Apiezon L | 130. | 815. | Bark and Wheatstone, 1974 | N2, Chromosorb W AW-DCMS; Column length: 2. m |
Packed | Apiezon L | 150. | 825. | Bark and Wheatstone, 1974 | N2, Chromosorb W AW-DCMS; Column length: 2. m |
Packed | PMS-100 | 130. | 799. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PMS-100 | 150. | 792. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PMS-100 | 180. | 792. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-40M | 110. | 1225. | Golovnya, Samusenko, et al., 1987 | He; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | PEG-40M | 80. | 1212. | Golovnya, Samusenko, et al., 1987 | He; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | PEG-20M | 150. | 1265. | Morishita, Morimoto, et al., 1986 | N2; Column length: 20. m; Column diameter: 0.23 mm |
Packed | Carbowax 20M | 100. | 1222. | Bark and Wheatstone, 1974 | N2, Chromosorb W AW-DCMS; Column length: 2. m |
Packed | Carbowax 20M | 110. | 1224. | Bark and Wheatstone, 1974 | N2, Chromosorb W AW-DCMS; Column length: 2. m |
Packed | Carbowax 20M | 90. | 1218. | Bark and Wheatstone, 1974 | N2, Chromosorb W AW-DCMS; Column length: 2. m |
Packed | PEG-2000 | 150. | 1262. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 180. | 1266. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1234. | Yeo and Shibamoto, 1991 | He, 60. C @ 4. min, 4. K/min, 180. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 821. | Methven L., Tsoukka M., et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 2. min, 4. K/min, 260. C @ 10. min |
Capillary | CP-Sil 8CB-MS | 818. | Hierro, de la Hoz, et al., 2004 | 60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min |
Capillary | BPX-5 | 824. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.5 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | BPX-5 | 824. | Ames, Guy, et al., 2001, 2 | 50. m/0.32 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | DB-1 | 792. | Kim, 2001 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 220. C |
Capillary | CP Sil 8 CB | 811. | Chevance and Farmer, 1999 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | OV-1 | 790.0 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Capillary | DB-1 | 787. | Izzo and Ho, 1991 | 50. m/0.32 mm/1.05 μm, He, 2. K/min, 260. C @ 40. min; Tstart: 40. C |
Capillary | OV-101 | 805. | Golovnya, Samusenko, et al., 1988 | He, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 100. C |
Capillary | OV-101 | 802. | Golovnya, Samusenko, et al., 1988 | He, 8. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C |
Capillary | OV-101 | 803. | Golovnya, Samusenko, et al., 1988 | He, 4. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C |
Capillary | DB-1 | 787. | Zhang, Chien, et al., 1988 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C |
Capillary | DB-5 | 814. | Premecz and Ford, 1987 | He, 60. C @ 10. min, 10. K/min, 280. C @ 3. min; Column length: 30. m; Column diameter: 0.32 mm |
Capillary | DB-5 | 807. | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Sil 8CB-MS | 821. | Elmore, Mottram, et al., 2000 | 60. m/0.25 mm/0.25 μm, He; Program: 0C(5min) => 40C/min => 40C (2min) => 4C/min => 280C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1211. | Mahadevan and Farmer, 2006 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | CP-Wax 52CB | 1213. | Mahadevan and Farmer, 2006 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | Supelcowax-10 | 1213. | Chung, Yung, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 1213. | Chung, Yung, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | DB-Wax | 1214. | Kim, 2001 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 200. C @ 30. min |
Capillary | CP-Wax 52CB | 1206. | Chevance and Farmer, 1999 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | Supelcowax-10 | 1214. | Chung, 1999 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | Supelcowax-10 | 1211. | Chung, 1999, 2 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min |
Capillary | DB-Wax | 1216. | Shimoda, Shiratsuchi, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Capillary | DB-Wax | 1227. | Chung, Eiserich, et al., 1994 | He, 60. C @ 4. min, 3. K/min, 220. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | CP-Wax 52CB | 1200. | Yu, Wu, et al., 1993 | 50. m/0.32 mm/0.25 μm, H2, 40. C @ 10. min, 1.5 K/min, 200. C @ 60. min |
Capillary | PEG-40M | 1226. | Golovnya, Samusenko, et al., 1988 | 25. m/0.32 mm/0.80 μm, He, 2. K/min; Tstart: 100. C |
Capillary | PEG-40M | 1223. | Golovnya, Samusenko, et al., 1988 | 25. m/0.32 mm/0.80 μm, He, 8. K/min; Tstart: 70. C |
Capillary | PEG-40M | 1226. | Golovnya, Samusenko, et al., 1988 | 25. m/0.32 mm/0.80 μm, He, 8. K/min; Tstart: 70. C |
Capillary | PEG-40M | 1222. | Golovnya, Samusenko, et al., 1988 | 25. m/0.32 mm/0.80 μm, He, 4. K/min; Tstart: 80. C |
Capillary | CP-WAX 57CB | 1242. | Salter L.J., Mottram D.S., et al., 1988 | 60. C @ 5. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
Capillary | CP-WAX 57CB | 1242. | Whitfield, Mottram, et al., 1988 | He, 60. C @ 5. min, 4. K/min, 200. C @ 10. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | CP-WAX 57CB | 1242. | Whitfield, Mottram, et al., 1988 | He, 60. C @ 5. min, 4. K/min, 200. C @ 10. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | CAM | 1215.677 | Premecz and Ford, 1987 | He, 60. C @ 5. min, 5. K/min, 240. C @ 21. min; Column length: 15. m; Column diameter: 0.24 mm |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 1190. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-5 | 826. | Harrison and Priest, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min |
Capillary | HP-5 | 820.0 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | SPB-5 | 815. | Poligné, Collignan, et al., 2001 | 60. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 200. C |
Capillary | HP-5 | 816. | Kubec, Drhová, et al., 1999 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | DB-1 | 799. | Chen and Ho, 1998 | 60. m/0.32 mm/1.0 μm, He, 3. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | HP-5 | 816. | Kubec, Drhová, et al., 1998 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 240. C @ 10. min |
Capillary | DB-1 | 797. | Yu, Wu, et al., 1994 | 60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | DB-1 | 799. | Yu, Wu, et al., 1994, 2 | 60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | DB-1 | 799. | Yu, Wu, et al., 1994, 2 | 60. m/0.25 mm/1. μm, He, 40. C @ 5. min, 2. K/min, 260. C @ 60. min |
Capillary | DB-1 | 770. | Ishihara, Tsuneya, et al., 1992 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C |
Capillary | DB-1 | 772. | Ishihara, Tsuneya, et al., 1992 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 240. C |
Capillary | OV-101 | 799. | Misharina, Golovnya, et al., 1991 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP Sil 5 CB | 800. | Counet, Callemien, et al., 2002 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 85C => 1C/min => 145C=3C/min => 250C(30min) |
Capillary | SE-30 | 825. | Li, Gao, et al., 2000 | Program: not specified |
Capillary | DB-1 | 795. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 798. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Innowax | 1205. | Puvipirom and Chaisei, 2012 | 15. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 250. C |
Capillary | DB-Wax | 1240. | Moon and Shibamoto, 2009 | 60. m/0.25 mm/0.50 μm, Helium, 40. C @ 5. min, 2. K/min, 210. C @ 70. min |
Capillary | FFAP | 1243. | Nebesny, Budryn, et al., 2007 | 30. m/0.32 mm/0.5 μm, N2, 35. C @ 5. min, 4. K/min, 320. C @ 45. min |
Capillary | TC-Wax | 1240. | Ishizaki, Tachihara, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2, 3. K/min, 220. C @ 40. min; Tstart: 70. C |
Capillary | TC-Wax | 1234. | Ishikawa, Ito, et al., 2004 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C |
Capillary | TC-Wax | 1234. | Fukami, Ishiyama, et al., 2002 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | RTX-Wax | 1241. | Galindo-Cuspinera, Lubran, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 5. K/min, 180. C @ 20. min |
Capillary | HP-Wax | 1239. | Sanz, Maeztu, et al., 2002 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Wax | 1239. | Maeztu, Sanz, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Wax | 1239. | Sanz, Ansorena, et al., 2001 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 6. min, 3. K/min; Tend: 190. C |
Capillary | HP-Innowax | 1219. | Kubec, Drhová, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 4. K/min, 190. C @ 10. min |
Capillary | DB-Wax | 1214. | Horiuchi, Umano, et al., 1998 | 60. m/0.25 mm/1. μm, He, 3. K/min, 200. C @ 40. min; Tstart: 50. C |
Capillary | HP-Innowax | 1219. | Kubec, Drhová, et al., 1998 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 3. min, 4. K/min, 190. C @ 10. min |
Capillary | PEG-20M | 1182. | Kubota, Matsujage, et al., 1996 | 50. m/0.25 mm/0.25 μm, Nitrogen, 2. K/min; Tstart: 60. C; Tend: 180. C |
Capillary | DB-Wax | 1216. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Carbowax 20M | 1220. | Seifert and King, 1982 | He, 50. C @ 10. min, 1. K/min, 170. C @ 60. min; Column length: 150. m; Column diameter: 0.64 mm |
Capillary | Carbowax 20M | 1210. | Liardon and Ledermann, 1980 | H2, 2. K/min; Column length: 39. m; Column diameter: 0.30 mm; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1229. | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C |
Capillary | DB-Wax | 1239. | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified |
Capillary | TC-Wax | 1240. | Kraft and Switt, 2005 | Program: not specified |
Capillary | DB-Wax | 1216. | Kim. J.H., Ahn, et al., 2004 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C |
Capillary | TC-Wax | 1240. | Tachihara, Ishizaki, et al., 2004 | Program: not specified |
Capillary | DB-Wax | 1210. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax | 1209. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1209. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1209. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1210. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1210. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1211. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Carbowax | 1212. | Baltes and Bochmann, 1987 | Program: not specified |
Capillary | Superox 0.6; Carbowax 20M | 1180. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 1180. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 121.17 | 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-5MS | 130.12 | Chen, Keeran, et al., 2002 | 30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; Tend: 310. C |
Capillary | DB-5 | 125.11 | Rostad and Pereira, 1986 | 30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, 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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Notes
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- Symbols used in this document:
AE Appearance energy 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 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 ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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