1-Heptanamine
- Formula: C7H17N
- Molecular weight: 115.2166
- IUPAC Standard InChIKey: WJYIASZWHGOTOU-UHFFFAOYSA-N
- CAS Registry Number: 111-68-2
- 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: Heptylamine; n-Heptylamine; 1-Aminoheptane; CH3(CH2)6NH2; 1-Heptylamine
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Phase change data
Go To: Top, Gas phase ion energetics data, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 429. ± 3. | K | AVG | N/A | Average of 11 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 250.15 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 49.98 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 49.9 | kJ/mol | CGC | Chickos, Hosseini, et al., 1995 | Based on data from 323. to 373. K.; AC |
ΔvapH° | 50.0 ± 0.1 | kJ/mol | C | Wadsö, Heikkilä, et al., 1969 | AC |
ΔvapH° | 49.96 ± 0.08 | kJ/mol | C | Wadso, 1969 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
46.5 | 341. | A | Stephenson and Malanowski, 1987 | Based on data from 326. to 430. K.; AC |
Gas phase ion energetics data
Go To: Top, Phase change data, 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:
MM - Michael M. Meot-Ner (Mautner)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 923.2 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 889.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Gas basicity at 298K
Gas basicity (review) (kJ/mol) | Reference | Comment |
---|---|---|
879.5 ± 9.2 | Gross, Rodriguez-Cruz, et al., 1995 | T = 300K; 3-Fluoropyridine; i-Propylamine. Reference GBs readjusted to Hunter and Lias, 1998. Cited uncertainty is half of the ΔGB between the bracketing bases; MM |
Gas Chromatography
Go To: Top, Phase change data, Gas phase ion energetics 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 150. | 928.0 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 180. | 943.2 | Cha and Lee, 1994 | Column length: 20. m; Column diameter: 0.5 mm |
Packed | Apolane | 130. | 918. | Dutoit, 1991 | Column length: 3.7 m |
Capillary | Apiezon LH + KF | 100. | 932. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon LH + KF | 100. | 932. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon LH + KF | 100. | 933. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon LH + KF | 100. | 933. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon LH + KF | 100. | 934. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon LH + KF | 100. | 934. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon LH + KF | 100. | 935. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 930. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 931. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 932. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 932. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 932. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 933. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 933. | Samusenko, Svetlova, et al., 1986 | 30. m/0.25 mm/0.063 μm, He |
Capillary | Apiezon L + KF | 100. | 931. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | Apiezon L + KF | 100. | 932. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | Apiezon L + KF | 100. | 933. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | Apiezon L + KF | 100. | 933. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | Apiezon L + KF | 100. | 934. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Capillary | Apiezon L + KF | 100. | 935. | Svetlova, Samusenko, et al., 1986 | 30. m/0.25 mm/0.06 μm |
Packed | SE-30 | 180. | 939. | Oszczapowicz, Osek, et al., 1985 | N2, Chromosorb A AW; Column length: 3. m |
Packed | PMS-100 | 130. | 931. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PMS-100 | 150. | 931. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PMS-100 | 180. | 930. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | Apiezon L | 100. | 942. | Golovnya and Zhuravleva, 1973 | |
Packed | Apiezon L | 130. | 912. | Landault and Guiochon, 1964 | Teflon-Haloport; Column length: 2.26 m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PEG-2000 | 120. | 1220. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 150. | 1219. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 152. | 1223. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 179. | 1215. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 180. | 1217. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 1215. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 930. | Peng, 2000 | 15. m/0.53 mm/1. μm, He; Program: 40C(3min) => 8C/min => 200(1min) => 5C/min => 300C(25min) |
Capillary | Methyl Silicone | 937. | Peng, Yang, et al., 1991 | Program: not specified |
Packed | SE-30 | 941. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-Wax | 1218. | Peng, 2000 | 15. m/0.53 mm/1. μm, He, 40. C @ 3. min, 5. K/min, 220. C @ 30. min |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 100. | 933. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 120. | 934. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 140. | 935. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 | |
Capillary | Methyl Silicone | 80. | 932. | Lebrón-Aguilar, Quintanilla-López, et al., 2007 |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 942. | Chen and Feng, 2007 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1213. | Peng, Yang, et al., 1991, 2 | Program: not specified |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F.,
Freezing points of orgainic substances VI. New experimental determinations.,
Bull. Soc. Chim. Belg., 1921, 30, 213. [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]
Chickos, Hosseini, et al., 1995
Chickos, James S.; Hosseini, Sarah; Hesse, Donald G.,
Determination of vaporization enthalpies of simple organic molecules by correlations of changes in gas chromatographic net retention times,
Thermochimica Acta, 1995, 249, 41-62, https://doi.org/10.1016/0040-6031(95)90670-3
. [all data]
Wadsö, Heikkilä, et al., 1969
Wadsö, Ingemar; Heikkilä, Jussi; Beagley, B.; Aalto, Tarja; Werner, Per-Erik; Junggren, Ulf; Lamm, Bo; Samuelsson, Benny,
Enthalpies of Vaporization of Organic Compounds. III. Amines.,
Acta Chem. Scand., 1969, 23, 2061-2064, https://doi.org/10.3891/acta.chem.scand.23-2061
. [all data]
Wadso, 1969
Wadso, I.,
Enthalpies of vaporization of organic compounds,
Acta Chem. Scand., 1969, 23, 2061. [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]
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]
Gross, Rodriguez-Cruz, et al., 1995
Gross, D.S.; Rodriguez-Cruz, S.E.; Bock, S.; Williams, E.R.,
Measurement of the Coulomb Energy and Dielectric Polarizability of Gas-Phase Diprotonated Diaminoalkanes,
J. Phys. Chem., 1995, 99, 4034. [all data]
Cha and Lee, 1994
Cha, K.-W.; Lee, D.-J.,
Prediction of retention indices of various compounds in gas-liquid chromatography,
J. Korean Chem. Soc., 1994, 38, 2, 108-120, retrieved from http://journal.kcsnet.or.kr/publi/dh/dh94n2/108.pdf. [all data]
Dutoit, 1991
Dutoit, J.,
Gas chromatographic retention behaviour of some solutes on structurally similar polar and non-polar stationary phases,
J. Chromatogr., 1991, 555, 1-2, 191-204, https://doi.org/10.1016/S0021-9673(01)87179-X
. [all data]
Samusenko, Svetlova, et al., 1986
Samusenko, A.L.; Svetlova, N.I.; Golovnya, R.V.,
Reproducible and durable glass capillary columns with hydrogenated apiezon-l and OV-101 for the analysis of polar substances,
Zh. Anal. Khim., 1986, 61, 1, 127-133. [all data]
Svetlova, Samusenko, et al., 1986
Svetlova, N.I.; Samusenko, A.L.; Golovnya, R.V.,
Advantage of the universal equation over the linear equation for the calculation of retention parameters of homologous series in capillary chromatography,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 12, 737-740, https://doi.org/10.1002/jhrc.1240091205
. [all data]
Oszczapowicz, Osek, et al., 1985
Oszczapowicz, J.; Osek, J.; Ciszkowski, K.; Krawczyk, W.; Ostrowski, M.,
Retention Indices of Dimethylbenzamidines and Benzylideneamines on a Non-Polar Column,
J. Chromatogr., 1985, 330, 79-85, https://doi.org/10.1016/S0021-9673(01)81964-6
. [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]
Golovnya and Zhuravleva, 1973
Golovnya, R.V.; Zhuravleva, I.L.,
Gas Chromatographic Method of Identification of n-Aliphatic Amines Through the Use of Donor-Acceptor Interaction with Phosphate,
Chromatographia, 1973, 6, 12, 508-513, https://doi.org/10.1007/BF02269131
. [all data]
Landault and Guiochon, 1964
Landault, C.; Guiochon, G.,
Separation des amines par chromatographie gaz-liquide en utilisant le teflon comme support,
J. Chromatogr., 1964, 13, 327-336, https://doi.org/10.1016/S0021-9673(01)95126-X
. [all data]
Peng, 2000
Peng, C.T.,
Prediction of retention indices. V. Influence of electronic effects and column polarity on retention index,
J. Chromatogr. A, 2000, 903, 1-2, 117-143, https://doi.org/10.1016/S0021-9673(00)00901-8
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D.,
Prediction of retention indexes. III. Silylated derivatives of polar compounds,
J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G
. [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
. [all data]
Lebrón-Aguilar, Quintanilla-López, et al., 2007
Lebrón-Aguilar, R.; Quintanilla-López, J.E.; Tello, A.M.; Santiuste, J.M.,
Isothermal retention indices on poly (3,3,3-trifluoropropylmethylsiloxane) stationary phases,
J. Chromatogr. A, 2007, 1160, 1-2, 276-288, https://doi.org/10.1016/j.chroma.2007.05.025
. [all data]
Chen and Feng, 2007
Chen, Y.; Feng, C.,
QSPR study on gas chromatography retention index of some organic pollutants,
Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]
Peng, Yang, et al., 1991, 2
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point 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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