2-Propanamine
- Formula: C3H9N
- Molecular weight: 59.1103
- IUPAC Standard InChIKey: JJWLVOIRVHMVIS-UHFFFAOYSA-N
- CAS Registry Number: 75-31-0
- 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: Isopropylamine; sec-Propylamine; Monoisopropylamine; 1-Methylethylamine; 2-Aminopropane; 2-Propylamine; iso-C3H7NH2; Isopropilamina; Propane, 2-amino-; 2-Amino-propaan; 2-Amino-propano; 2-Aminopropan; UN 1221; iso-Propylamine gas; NSC 62775
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Gas phase ion energetics data
Go To: Top, 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 220.8 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 212.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.6 ± 0.1 | PE | Aue, Webb, et al., 1976 | LLK |
8.86 | PE | Al-Joboury and Turner, 1964 | RDSH |
8.72 ± 0.03 | PI | Watanabe and Mottl, 1957 | RDSH |
9.31 | PE | Katsumata, Iwai, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C2H6N+ | 9.12 | CH3 | EI | Lossing, Lam, et al., 1981 | LLK |
C2H6N+ | 8.86 ± 0.05 | CH3 | EI | Solka and Russell, 1974 | LLK |
C3H8N+ | 9.20 | H | EI | Lossing, Lam, et al., 1981 | LLK |
De-protonation reactions
C3H8N- + =
By formula: C3H8N- + H+ = C3H9N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 397.2 ± 3.1 | kcal/mol | G+TS | Brauman and Blair, 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 389.9 ± 3.0 | kcal/mol | IMRB | Brauman and Blair, 1971 | gas phase; B |
Gas Chromatography
Go To: Top, 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 |
---|---|---|---|---|---|
Packed | OV-101 | 130. | 469. | Osmialowski, Halkiewicz, et al., 1985 | Ar, Chromosorb W HP; Column length: 1. m |
Packed | SE-30 | 180. | 468. | Oszczapowicz, Osek, et al., 1984 | N2, Chromosorb W AW; Column length: 3. m |
Packed | Apiezon L | 100. | 477. | Zhuravleva, Kapustin, et al., 1976 | N2 or He, Chromosorb G, AW; Column length: 2.7 m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PEG-2000 | 120. | 743. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 150. | 740. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 152. | 725. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 179. | 710. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 180. | 740. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 130. | 469. | Qi, Yang, et al., 2000 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 465. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. 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 | Polydimethyl siloxanes | 465. | Zenkevich and Chupalov, 1996 | Program: not specified |
References
Go To: Top, 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.
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]
Aue, Webb, et al., 1976
Aue, D.H.; Webb, H.M.; Bowers, M.T.,
Quantitative proton affinities, ionization potentials, and hydrogen affinities of alkylamines,
J. Am. Chem. Soc., 1976, 98, 311. [all data]
Al-Joboury and Turner, 1964
Al-Joboury, M.I.; Turner, D.W.,
Molecular photoelectron spectroscopy. Part II. A summary of ionization potentials,
J. Chem. Soc., 1964, 4434. [all data]
Watanabe and Mottl, 1957
Watanabe, K.; Mottl, J.R.,
Ionization potentials of ammonia and some amines,
J. Chem. Phys., 1957, 26, 1773. [all data]
Katsumata, Iwai, et al., 1973
Katsumata, S.; Iwai, T.; Kimura, K.,
Photoelectron spectra and sum rule consideration. Higher alkyl amines and alcohols,
Bull. Chem. Soc. Jpn., 1973, 46, 3391. [all data]
Lossing, Lam, et al., 1981
Lossing, F.P.; Lam, Y.-T.; Maccoll, A.,
Gas phase heats of formation of alkyl immonium ions,
Can. J. Chem., 1981, 59, 2228. [all data]
Solka and Russell, 1974
Solka, B.H.; Russell, M.E.,
Energetics of formation of some structural isomers of gaseous C2H5O+ C2H6N+ ions,
J. Phys. Chem., 1974, 78, 1268. [all data]
Brauman and Blair, 1971
Brauman, J.I.; Blair, L.K.,
Gas phase acidities of amines,
J. Am. Chem. Soc., 1971, 93, 3911. [all data]
Osmialowski, Halkiewicz, et al., 1985
Osmialowski, K.; Halkiewicz, J.; Radecki, A.; Kaliszan, R.,
Quantum chemical parameters in correlation analysis of gas-liquid chromatographic retention indices of amines,
J. Chromatogr., 1985, 346, 53-60, https://doi.org/10.1016/S0021-9673(00)90493-X
. [all data]
Oszczapowicz, Osek, et al., 1984
Oszczapowicz, J.; Osek, J.; Dolecka, E.,
Retention indices of dimethylformamidines, dimethylacetamidines and tetramethylguanidines on a non-polar column,
J. Chromatogr., 1984, 315, 95-100, https://doi.org/10.1016/S0021-9673(01)90727-7
. [all data]
Zhuravleva, Kapustin, et al., 1976
Zhuravleva, I.L.; Kapustin, Yu.P.; Golovnya, P.B.,
Retention indices of some isoaliphatic and heterocyclic nitrogenous bases,
Zh. Anal. Khim., 1976, 31, 1378-1380. [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]
Qi, Yang, et al., 2000
Qi, Y.; Yang, J.; Xu, L.,
correlation analysis of the structures and gas liquid chromatographic retention indices of amines,
Chin. J. Anal. Chem., 2000, 28, 2, 223-227. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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