Propylamine
- Formula: C3H9N
- Molecular weight: 59.1103
- IUPAC Standard InChIKey: WGYKZJWCGVVSQN-UHFFFAOYSA-N
- CAS Registry Number: 107-10-8
- 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: 1-Propanamine; n-Propylamine; Mono-n-propylamine; Monopropylamine; Propanamine; 1-Aminopropane; 1-Propylamine; n-C3H7NH2; Rcra waste number U194; UN 1277; NSC 7490
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Gas phase ion energetics data
Go To: Top, 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
MM - Michael M. Meot-Ner (Mautner)
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) | 219.4 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 211.3 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
216.9 | Wang, Chu, et al., 1999 | KM results obtained from CID of complexes with other primary amines at E(cm) = 0 eV, extrapolated from CID at E(cm) = 0.8, 1.5, 2.0 eV; MM |
216.8 | Wang, Chu, et al., 1999 | KM results obtained from CID of complexes with other primary amines using Fenselau/Wesdemiotis correction; MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
8.5 ± 0.1 | PE | Aue, Webb, et al., 1976 | LLK |
8.78 ± 0.02 | PI | Watanabe and Mottl, 1957 | RDSH |
9.4 ± 0.3 | PE | Peel and Willett, 1977 | Vertical value; LLK |
9.44 | PE | Katsumata, Iwai, et al., 1973 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH4N+ | 9.56 | C2H5 | EI | Lossing, Lam, et al., 1981 | LLK |
CH4N+ | 9.54 | C2H5 | PI | Chupka, 1959 | RDSH |
C2H6N+ | 10.2 ± 0.3 | CH3 | EI | Solka and Russell, 1974 | LLK |
De-protonation reactions
C3H8N- + =
By formula: C3H8N- + H+ = C3H9N
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 398.4 ± 3.1 | kcal/mol | G+TS | Brauman and Blair, 1971 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 391.0 ± 3.0 | kcal/mol | IMRB | Brauman and Blair, 1971 | gas phase; B |
References
Go To: Top, Gas phase ion energetics data, 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]
Wang, Chu, et al., 1999
Wang, Z.; Chu, I.K.; Rodriquez, C.F.; Hopkinson, A.C.; Siu, K.W.M.,
α,ω-Diaminoalkanes as models for bases that dicoordinate the proton: An evaluation of the kinetic method for estimating their proton affinities,
J. Phys. Chem. A., 1999, 103, 8700. [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]
Watanabe and Mottl, 1957
Watanabe, K.; Mottl, J.R.,
Ionization potentials of ammonia and some amines,
J. Chem. Phys., 1957, 26, 1773. [all data]
Peel and Willett, 1977
Peel, J.B.; Willett, G.D.,
Photoelectron spectroscopic studies of the propyl- and allyl- substituted amines,
Aust. J. Chem., 1977, 30, 2571. [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]
Chupka, 1959
Chupka, W.A.,
Effect of unimolecular decay kinetics on the interpretation of appearance potentials,
J. Chem. Phys., 1959, 30, 191. [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]
Notes
Go To: Top, Gas phase ion energetics data, 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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