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), UV/Visible 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 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), UV/Visible 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 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
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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
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
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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:
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), UV/Visible 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 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), UV/Visible spectrum, 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, UV/Visible 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 |
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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Source | Herington, 1950 |
---|---|
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. 12451 |
Instrument | Beckman quartz spectrophotometer and Unicam quartz spectrophotometer |
Melting point | - 66.7 |
Boiling point | 129.3 |
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), UV/Visible spectrum, 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), 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.
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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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