Pyridine, 3,4-dimethyl-
- Formula: C7H9N
- Molecular weight: 107.1531
- IUPAC Standard InChIKey: NURQLCJSMXZBPC-UHFFFAOYSA-N
- CAS Registry Number: 583-58-4
- 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: 3,4-Lutidine; 3,4-Dimethylpyridine; 3,4-Lutidene
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Gas phase thermochemistry data
Go To: Top, Phase change 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: Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 70.0 | kJ/mol | N/A | Cox and Gundry, 1958 | Value computed using ΔfHliquid° value of 18.2 kj/mol from Cox and Gundry, 1958 and ΔvapH° value of 51.8 kj/mol from missing citation. |
Phase change data
Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 436.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 452.3 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 262.11 | K | N/A | Coulson, Cox, et al., 1959 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 262.70 | K | N/A | Chirico, Hossenlopp, et al., 1994 | Uncertainty assigned by TRC = 0.01 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 683.8 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 683.71 | K | N/A | Ambrose, Cox, et al., 1960 | Uncertainty assigned by TRC = 0.4 K; Visual, PRT, IPTS-48, with decomp.; TRC |
Tc | 683.75 | K | N/A | Cox, 1960 | Uncertainty assigned by TRC = 1. K; measured by R. Townsend to be pub. later; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 50.54 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 51.80 | kJ/mol | E | Cox, 1960 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
39.99 | 452.3 | N/A | Majer and Svoboda, 1985 | |
47.6 | 355. | N/A | Sakoguchi, Ueoka, et al., 1995 | Based on data from 288. to 422. K.; AC |
46.6 | 360. | EB | Steele, Chirico, et al., 1995 | Based on data from 341. to 495. K.; AC |
44.2 | 400. | EB | Steele, Chirico, et al., 1995 | Based on data from 341. to 495. K.; AC |
41.7 | 440. | EB | Steele, Chirico, et al., 1995 | Based on data from 341. to 495. K.; AC |
39.0 | 480. | EB | Steele, Chirico, et al., 1995 | Based on data from 341. to 495. K.; AC |
44.8 | 400. | A | Stephenson and Malanowski, 1987 | Based on data from 385. to 454. K. See also Kkykj and Repas, 1973.; AC |
48.8 | 328. | C | Majer, Svoboda, et al., 1985 | AC |
47.6 | 343. | C | Majer, Svoboda, et al., 1985 | AC |
45.9 | 368. | C | Majer, Svoboda, et al., 1985 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kJ/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kJ/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
328. to 368. | 69.65 | 0.3181 | 683.8 | Majer and Svoboda, 1985 |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
446.3 to 453.50 | 4.20691 | 1618.466 | -67.044 | Coulson, Cox, et al., 1959, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.7 | 262.7 | Chirico, Hossenlopp, et al., 1994, 2 | AC |
Temperature of phase transition
Ttrs (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|
241.100 | crystaline, II | crystaline, I | Steele, Chirico, et al., 1986 | DH |
262.704 | crystaline, I | liquid | Steele, Chirico, et al., 1986 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Japan AIST/NIMC Database- Spectrum MS-NW- 651 |
NIST MS number | 227864 |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Cox and Gundry, 1958
Cox, J.D.; Gundry, H.A.,
Heats of combustion. Part II. The six lutidines,
J. Chem. Soc., 1958, 1019-1022. [all data]
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Coulson, Cox, et al., 1959
Coulson, E.A.; Cox, J.D.; Herington, E.F.G.; Martin, J.F.,
The Preparation and Physical Properties of the Pure Lutidines,
J. Chem. Soc., 1959, 1959, 1934. [all data]
Chirico, Hossenlopp, et al., 1994
Chirico, R.D.; Hossenlopp, I.A.; Gammon, B.E.; Knipmeyer, S.E.; Steele, W.V.,
Heat capacities of the six dimethylpyridines between the temperatures 10 K and 445 K and methyl-group rotational barriers in the solid state a,b,
J. Chem. Thermodyn., 1994, 26, 11, 1187, https://doi.org/10.1006/jcht.1994.1138
. [all data]
Ambrose, Cox, et al., 1960
Ambrose, D.; Cox, J.D.; Townsend, R.,
The critical temperatures of forty organic compounds,
Trans. Faraday Soc., 1960, 56, 1452. [all data]
Cox, 1960
Cox, J.D.,
The second virial coefficients, latent heats of vaporization and heats of formation of the lutidines,
Trans. Faraday Soc., 1960, 56, 959. [all data]
Sakoguchi, Ueoka, et al., 1995
Sakoguchi, Akihiro; Ueoka, Ryuichi; Kato, Yasuo; Arai, Yasuhiko,
Vapor Pressures of Alkylpyridines and Alkylpyrazines.,
KAGAKU KOGAKU RONBUNSHU, 1995, 21, 1, 219-223, https://doi.org/10.1252/kakoronbunshu.21.219
. [all data]
Steele, Chirico, et al., 1995
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Knipmeyer, S.E.,
Vapor pressures, high-temperature heat capacities, critical properties, derived thermodynamic functions, and barriers to methyl-group rotation, for the six dimethylpyridines,
The Journal of Chemical Thermodynamics, 1995, 27, 3, 311-334, https://doi.org/10.1006/jcht.1995.0030
. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Kkykj and Repas, 1973
Kkykj, J.; Repas, M.,
Petrochemia, 1973, 13, 179. [all data]
Majer, Svoboda, et al., 1985
Majer, V.; Svoboda, V.; Lencka, M.,
Enthalpies of vaporization and cohesive energies of dimethylpyridines and trimethylpyridines,
The Journal of Chemical Thermodynamics, 1985, 17, 4, 365-370, https://doi.org/10.1016/0021-9614(85)90133-8
. [all data]
Coulson, Cox, et al., 1959, 2
Coulson, E.A.; Cox, J.D.; Herington, E.F.G.; Martin, J.F.,
The Preparation and Physical Properties of the Pure Lutidines,
J. Chem. Soc., 1959, 1934-1940, https://doi.org/10.1039/jr9590001934
. [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 of the six dimethylpyridines between the temperatures 10 K and 445 K and methyl-group rotational barriers in the solid state a,b,
The Journal of Chemical Thermodynamics, 1994, 26, 11, 1187-1218, https://doi.org/10.1006/jcht.1994.1138
. [all data]
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]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Ttrs Temperature of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion 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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