o-Toluidine
- Formula: C7H9N
- Molecular weight: 107.1531
- IUPAC Standard InChIKey: RNVCVTLRINQCPJ-UHFFFAOYSA-N
- CAS Registry Number: 95-53-4
- 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: Benzenamine, 2-methyl-; o-Aminotoluene; o-Methylaniline; o-Methylbenzenamine; o-Tolylamine; 1-Amino-2-methylbenzene; 2-Aminotoluene; 2-Methyl-1-aminobenzene; 2-Methylaniline; 2-Methylbenzenamine; 2-Toluidine; 2-Amino-1-methylbenzene; 1-Methyl-2-aminobenzene; o-Toluide; o-Toluidin; o-Toluidyna; Aniline, 2-methyl-; C.I. 37077; Rcra waste number U328; NSC 15348
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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Gas 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | 53.2 ± 0.5 | kJ/mol | Ccr | Steele, Chirico, et al., 1994 | see Steele, Chirico, et al., 1990; ALS |
ΔfH°gas | 54.8 | kJ/mol | Ccb | Draeger, 1984 | ALS |
ΔfH°gas | 51.4 | kJ/mol | N/A | Pushin, 1954 | Value computed using ΔfHliquid° value of -6.5 kj/mol from Pushin, 1954 and ΔvapH° value of 57.9 kj/mol from Steele, Chirico, et al., 1994.; DRB |
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 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 | -4.72 ± 0.96 | kJ/mol | Ccr | Steele, Chirico, et al., 1994 | see Steele, Chirico, et al., 1990; ALS |
ΔfH°liquid | -6.49 | kJ/mol | Ccb | Pushin, 1954 | Author's hf298_condensed=-4.0 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -4036.09 ± 0.88 | kJ/mol | Ccr | Steele, Chirico, et al., 1994 | see Steele, Chirico, et al., 1990; ALS |
ΔcH°liquid | -4034. | kJ/mol | Ccb | Pushin, 1954 | Author's hf298_condensed=-4.0 kcal/mol; ALS |
ΔcH°liquid | -4064.0 | kJ/mol | Ccb | Swarts, 1909 | ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
164.4 | 303.15 | Guseinov, Mirzaliev, et al., 1988 | T = 303 to 463 K. p= 0.1 MPa. Unsmoothed experimental datum. Cp(liq) = 0.8056 + 0.0023634T + (0.0017364 - 8.1591x10-6T)P kJ/kg*K (303.15 to 523.15 K, 0.1 to 25 MPa).; DH |
209.6 | 302.5 | de Kolossowsky and Udowenko, 1934 | DH |
209.6 | 302.5 | Kolosovskii and Udovenko, 1934 | DH |
201.7 | 288. | Radulescu and Jula, 1934 | DH |
211.3 | 298. | von Reis, 1881 | T = 294 to 485 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 | 473. ± 2. | K | AVG | N/A | Average of 16 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 252. ± 8. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 258.730 | K | N/A | Steele, Chirico, et al., 1994, 2 | Uncertainty assigned by TRC = 0.005 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 694.15 | K | N/A | Glaser and Ruland, 1957 | Uncertainty assigned by TRC = 2. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 37.4902 | bar | N/A | Glaser and Ruland, 1957 | Uncertainty assigned by TRC = 2.5331 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 57. ± 10. | kJ/mol | AVG | N/A | Average of 7 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
57.8 | 300. | EB,IP | Steele, Chirico, et al., 1994 | Based on data from 290. to 517. K.; AC |
54.5 | 340. | EB,IP | Steele, Chirico, et al., 1994 | Based on data from 290. to 517. K.; AC |
51.5 | 380. | EB,IP | Steele, Chirico, et al., 1994 | Based on data from 290. to 517. K.; AC |
48.6 | 420. | EB,IP | Steele, Chirico, et al., 1994 | Based on data from 290. to 517. K.; AC |
45.7 | 460. | EB,IP | Steele, Chirico, et al., 1994 | Based on data from 290. to 517. K.; AC |
42.7 | 500. | EB.IP | Steele, Chirico, et al., 1994 | Based on data from 290. to 517. K.; AC |
50.0 | 406. | A | Stephenson and Malanowski, 1987 | Based on data from 391. to 474. K. See also Dreisbach and Shrader, 1949 and Boublik, Fried, et al., 1984.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
391.61 to 473.5 | 4.19168 | 1617.232 | -87.126 | Dreisbach and Shrader, 1949 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.100 | 249.55 | Meva'a and Lichanot, 1990 | DH |
11.66 | 287.6 | Steele, Chirico, et al., 1994 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
32. | 249.55 | Meva'a and Lichanot, 1990 | 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 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
By formula: C7H5NO + C7H9N = C14H14N2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -93.0 | kJ/mol | Cm | Pannone and Macosko, 1987 | liquid phase |
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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
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 C7H9N+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 7.47 ± 0.04 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 890.9 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 859.1 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
7.58 | EI | Selim, Rabbih, et al., 1992 | LL |
7.45 ± 0.02 | PE | Maier and Turner, 1973 | LLK |
7.52 | PE | Cowling and Johnstone, 1973 | LLK |
7.44 ± 0.02 | PI | Potapov and Iskakov, 1971 | LLK |
7.6 ± 0.1 | CTS | Farrell and Newton, 1966 | RDSH |
7.7 ± 0.1 | EI | Eland, Shepherd, et al., 1966 | RDSH |
7.69 | CTS | Kinoshita, 1962 | RDSH |
7.75 | CTS | Briegleb and Czekalla, 1959 | RDSH |
7.84 | PE | Palmer, Moyes, et al., 1979 | Vertical value; LLK |
7.83 | PE | Kobayashi and Nagakura, 1974 | Vertical value; LLK |
7.83 | PE | Kobayashi and Nagakura, 1972 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C6H6+ | 10.53 ± 0.07 | ? | EI | Selim, Rabbih, et al., 1992 | LL |
C7H8N+ | 11.25 ± 0.05 | H | PI | Potapov and Iskakov, 1971 | LLK |
IR 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.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Sadtler Research Labs Under US-EPA Contract |
State | gas |
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
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 | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 290511 |
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
View image of digitized spectrum (can be printed in landscape orientation).
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Download spectrum in JCAMP-DX format.
Source | Lang (editor), 1973 |
---|---|
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. 19737 |
Instrument | Unicam SP 800 B |
Melting point | 200.3 |
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
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PEG-2000 | 179. | 1796. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 180. | 1807. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 1808. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 1814. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 1032.7 | Sun and Stremple, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 325. C |
Capillary | OV-1 | 1040.5 | Gautzsch and Zinn, 1996 | 8. K/min; Tstart: 35. C; Tend: 300. C |
Packed | SE-30 | 1068. | Peng, Ding, et al., 1988 | He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m |
Capillary | DB-5 | 1072. | 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 | 5 % Phenyl methyl siloxane | 1068. | Yasuhara, Shiraishi, et al., 1997 | 25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Capillary | Methyl Silicone | 1068. | Peng, Yang, et al., 1991 | Program: not specified |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 1053.9 | Bur'yan and Nabivach, 1992 | 1.7 K/min; Tstart: 82. C; Tend: 177. C |
Capillary | SE-30 | 1053.9 | Bur'yan and Nabivach, 1992 | 1.7 K/min; Tstart: 82. C; Tend: 177. C |
Capillary | Ultra-1 | 1037. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1789. | Peng, Yang, et al., 1991, 2 | Program: not specified |
Capillary | DB-Wax | 1800. | Peng, Yang, et al., 1991, 2 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5MS | 176.52 | 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 | 177.86 | 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 | 176.65 | 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, NIST Subscription Links, 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., 1994
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Knipmeyer, S.E.,
The thermodynamic properties of 2-methylaniline and trans-(r,S)-decahydroquinoline,
J. Chem. Thermodyn., 1994, 26, 515-544. [all data]
Steele, Chirico, et al., 1990
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Knipmeyer, S.E.,
The thermodynamic properties of 2-methylaniline and trans-(R,S)-decahydroquinoline,
Topical Rept., work performed under cooperative agreement No. FC22-83FE60149, Bartlesville,OK, (NIPER-459), 1990, 1-52. [all data]
Draeger, 1984
Draeger, J.A.,
Chemical-thermodynamic properties of molecules that undergo inversion. II. The methylanilines,
J. Chem. Thermodyn., 1984, 16, 1067-1073. [all data]
Pushin, 1954
Pushin, N.A.,
Heats of combustion and heats of formation of isomeric organic compounds,
Bull. Soc. Chim. Belgrade, 1954, 19, 531-547. [all data]
Swarts, 1909
Swarts, M.F.,
Sur la chaleur de formation de l'aniline et de quelquesuns de ses derives,
Recl. Trav. Chim. Pays-Bas, 1909, 28, 155-165. [all data]
Guseinov, Mirzaliev, et al., 1988
Guseinov, S.O.; Mirzaliev, A.A.; Shakhmuradov, Sh.G.,
Investigation of the isobaric heat capacity of meta- and ortho-toluidine over a wide interval ov varying temperature and pressure, Iaz. Vyssh. Ucheb. Zaved.,
Neft i Gaz 31(9), 1988, 13, 35. [all data]
de Kolossowsky and Udowenko, 1934
de Kolossowsky, N.; Udowenko, W.W.,
Determination des chaleurs specifiques des liquides,
Compt. rend., 1934, 198, 1394-1395. [all data]
Kolosovskii and Udovenko, 1934
Kolosovskii, N.A.; Udovenko, W.W.,
Specific heat of liquids. II.,
Zhur. Obshchei Khim., 1934, 4, 1027-1033. [all data]
Radulescu and Jula, 1934
Radulescu, D.; Jula, O.,
Beiträge zur Bestimmung der Abstufung der Polarität des Aminstickstoffes in den organischen Verbindungen,
Z. Phys. Chem., 1934, B26, 390-393. [all data]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Steele, Chirico, et al., 1994, 2
Steele, W.V.; Chirico, R.D.; Nguyen, A.; Knipmeyer, S.E.,
The thermodynamic properties of 2-methylaniline and trans-(R,S)-decahydroquinoline,
J. Chem. Thermodyn., 1994, 26, 5, 515, https://doi.org/10.1006/jcht.1994.1061
. [all data]
Glaser and Ruland, 1957
Glaser, F.; Ruland, H.,
Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen,
Chem. Ing. Techn., 1957, 29, 772. [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]
Dreisbach and Shrader, 1949
Dreisbach, R.R.; Shrader, S.A.,
Vapor Pressure--Temperature Data on Some Organic Compounds,
Ind. Eng. Chem., 1949, 41, 12, 2879-2880, https://doi.org/10.1021/ie50480a054
. [all data]
Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E.,
The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]
Meva'a and Lichanot, 1990
Meva'a, L.M.; Lichanot, A.,
Proprietes thermodynamiques en phase condensee des ortho, meta et para fluorotoluene, cresol et toluidine,
Thermochim. Acta, 1990, 158, 335-345. [all data]
Pannone and Macosko, 1987
Pannone, M.C.; Macosko, C.W.,
Kinetics of isocyanate amine reactions,
J. Appl. Polym. Sci., 1987, 34, 2409-2432. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Selim, Rabbih, et al., 1992
Selim, E.T.M.; Rabbih, M.A.; Fahmey, M.A.; Hawash, M.F.,
Electron impact study of [C6H6]+ fragment ions produced from isomeric C7H9N precursors using the deconvoluted first differential technique and kinetic release measurements,
Int. J. Mass Spectrom. Ion Processes, 1992, 113, 133. [all data]
Maier and Turner, 1973
Maier, J.P.; Turner, D.W.,
Steric inhibition of resonance studied by molecular photoelectron spectroscopy Part 3. Anilines, Phenols and Related Compounds,
J. Chem. Soc. Faraday Trans. 2, 1973, 69, 521. [all data]
Cowling and Johnstone, 1973
Cowling, S.A.; Johnstone, R.A.W.,
Photoelectron spectroscopy: The effects of steric inhibition to resonance in anilines,
J. Electron Spectrosc. Relat. Phenom., 1973, 2, 161. [all data]
Potapov and Iskakov, 1971
Potapov, V.K.; Iskakov, L.I.,
Electronic structure and photoionization of aromatic amines,
High Energy Chem., 1971, 5, 237, In original 264. [all data]
Farrell and Newton, 1966
Farrell, P.G.; Newton, J.,
Ionization potentials of primary aromatic amines and aza-hydrocarbons,
Tetrahedron Lett., 1966, 5517. [all data]
Eland, Shepherd, et al., 1966
Eland, J.H.D.; Shepherd, P.J.; Danby, C.J.,
Ionization potentials of aromatic molecules determined by analytical interpretation of electron impact data,
Z. Naturforsch., 1966, 21a, 1580. [all data]
Kinoshita, 1962
Kinoshita, M.,
The absorption spectra of the molecular complexes of aromatic compounds with p-bromanil,
Bull. Chem. Soc. Japan, 1962, 35, 1609. [all data]
Briegleb and Czekalla, 1959
Briegleb, G.; Czekalla, J.,
Die Bestimmung von lonisierungsenergien aus den Spektren von Elektronenubergangskomplexen,
Z.Elektrochem., 1959, 63, 6. [all data]
Palmer, Moyes, et al., 1979
Palmer, M.H.; Moyes, W.; Spiers, M.; Ridyard, J.N.A.,
The electronic structure of substituted benzenes; a study of aniline, the toluidines, phenylenediamines and fluoroanilines by photoelectron spectroscopy and ab initio calculations,
J. Mol. Struct., 1979, 53, 235. [all data]
Kobayashi and Nagakura, 1974
Kobayashi, T.; Nagakura, S.,
Photoelectron spectra of substituted benzenes,
Bull. Chem. Soc. Jpn., 1974, 47, 2563. [all data]
Kobayashi and Nagakura, 1972
Kobayashi, T.; Nagakura, S.,
Photoelectron spectra of anilines,
Chem. Lett., 1972, 1013. [all data]
Lang (editor), 1973
Lang (editor), L.,
Absorption Spectra in the Ultraviolet and Visible Region, 1973, 18, 31. [all data]
Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L.,
Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases,
Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]
Sun and Stremple, 2003
Sun, G.; Stremple, P.,
Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]
Gautzsch and Zinn, 1996
Gautzsch, R.; Zinn, P.,
Use of incremental models to estimate the retention indexes of aromatic compounds,
Chromatographia, 1996, 43, 3/4, 163-176, https://doi.org/10.1007/BF02292946
. [all data]
Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8
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Rostad and Pereira, 1986
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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 IE (evaluated) Recommended ionization energy Pc Critical pressure 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 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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