1H-Pyrrole, 2,4-dimethyl-
- Formula: C6H9N
- Molecular weight: 95.1424
- IUPAC Standard InChIKey: MFFMQGGZCLEMCI-UHFFFAOYSA-N
- CAS Registry Number: 625-82-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Pyrrole, 2,4-dimethyl-; 2,4-Dimethylpyrrole; 2,4-Dimethyl-1H-pyrrole
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Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 53.062 | cal/mol*K | N/A | Steele, Chirico, et al., 1986 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.935 | 298.15 | Steele, Chirico, et al., 1986 | T = 10 to 450 K. |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
DH - Eugene S. Domalski and Elizabeth D. Hearing
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 438.45 | K | N/A | Lanum and Morris, 1969 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 268.435 | K | N/A | Steele, Chirico, et al., 1986 | DH |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 268.44 | K | N/A | Chirico, Hossenlopp, et al., 1994 | Uncertainty assigned by TRC = 0.01 K; TRC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.3 | 268.5 | Chirico, Hossenlopp, et al., 1994, 2 | AC |
Gas phase ion energetics data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.54 ± 0.02 | PI | Potapov and Yuzhakova, 1970 | RDSH |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C6H8N+ | 10.2 ± 0.1 | H | PI | Potapov and Yuzhakova, 1970 | RDSH |
Mass spectrum (electron ionization)
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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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 | D. GAMES, M. HEWLINS, A. JACKSON, CHEM DEPT, UNIV COLL, CARDIFF, U.K. |
NIST MS number | 51944 |
Gas Chromatography
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | BPX-5 | 842. | Ames, Guy, et al., 2001 | 50. m/0.32 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min, 250. C @ 10. min |
Capillary | DB-1 | 842. | Kim, 2001 | 60. m/0.32 mm/1. μm, He, 40. C @ 5. min, 2. K/min; Tend: 220. C |
References
Go To: Top, Condensed phase thermochemistry data, Phase change 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.
Steele, Chirico, et al., 1986
Steele, W.V.; Chirico, R.D.; Collier, W.B.; Hossenlopp, I.A.; Nguyen, A.; Strube, M.M.,
Thermochemical and thermophysical properties of organic nitrogen compounds found in fossil materials,
NIPER Report, 1986, 188, 112p. [all data]
Lanum and Morris, 1969
Lanum, W.J.; Morris, J.C.,
Physical Properties of Some Sulfur and Nitrogen Compounds,
J. Chem. Eng. Data, 1969, 14, 93-8. [all data]
Chirico, Hossenlopp, et al., 1994
Chirico, R.D.; Hossenlopp, I.A.; Gammon, B.E.; Knipmeyer, S.E.; Steele, W.V.,
Heat capacities between the temperatures 10 K and 445 K for 2,4-dimethylpyrrole and barriers to methyl-group rotation in the solid state for 2,4- and 2,5-dimethylpyrrolea,b,
J. Chem. Thermodyn., 1994, 26, 11, 1219, https://doi.org/10.1006/jcht.1994.1139
. [all data]
Chirico, Hossenlopp, et al., 1994, 2
Chirico, R.D.; Hossenlopp, I.A.; Gammon, B.E.; Knipmeyer, S.E.; Steele, W.V.,
Heat capacities between the temperatures 10 K and 445 K for 2,4-dimethylpyrrole and barriers to methyl-group rotation in the solid state for 2,4- and 2,5-dimethylpyrrolea,b,
The Journal of Chemical Thermodynamics, 1994, 26, 11, 1219-1230, https://doi.org/10.1006/jcht.1994.1139
. [all data]
Potapov and Yuzhakova, 1970
Potapov, V.K.; Yuzhakova, O.A.,
Photoionization and electronic structure of pyrrole and its methyl derivatives,
Dokl. Akad. Nauk SSSR, 1970, 192, 131, In original 365. [all data]
Ames, Guy, et al., 2001
Ames, J.M.; Guy, R.C.E.; Kipping, G.J.,
Effect of pH, temperature, and moisture on the formation of volatile compounds in glycine/glucose model systems,
J. Agric. Food Chem., 2001, 49, 9, 4315-4323, https://doi.org/10.1021/jf010198m
. [all data]
Kim, 2001
Kim, J.S.,
Einfluss der Temperatur beim Rösten von Sesam auf Aroma und antioxidative Eigenschaften des Öls, PhD Thesis, Technischen Universität Berlin zur Erlangung des akademischen Grades, Berlin, 2001, 151. [all data]
Notes
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- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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