Benzenepropanamine
- Formula: C9H13N
- Molecular weight: 135.2062
- IUPAC Standard InChI: InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2
- IUPAC Standard InChIKey: LYUQWQRTDLVQGA-UHFFFAOYSA-N
- CAS Registry Number: 2038-57-5
- 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: Propylamine, 3-phenyl-; γ-Phenyl-n-propylamine; γ-Phenylpropylamine; Hydrocinnamylamine; 1-Amino-3-phenylpropane; 3-Phenyl-n-propylamine; 3-Phenyl-1-propanamine; 3-Phenylpropylamine; 3-Phenyl-1-propylamine; 3-Phenyl-1-aminopropane; 3-Phenylpropanamine; NSC 87080
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Condensed phase thermochemistry data
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: Eugene S. Domalski and Elizabeth D. Hearing
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference |
|---|---|---|
| 265.59 | 298.15 | Nichols and Wads, 1975 |
Gas phase ion energetics data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
MM - Michael M. Meot-Ner (Mautner)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Gas basicity at 298K
| Gas basicity (review) (kJ/mol) | Reference | Comment |
|---|---|---|
| 920. ± 8. | Cardoso, Alexandre, et al., 1998 | 2-picoline; piperidine; MM |
Ionization energy determinations
| IE (eV) | Method | Reference | Comment |
|---|---|---|---|
| 8.89 ± 0.12 | PE | Domelsmith, Munchausen, et al., 1977 | Vertical value; LLK |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C9H10+ | 9.5 ± 0.1 | NH3 | EI | Schwarz, Wesdemiotis, et al., 1975 | LLK |
References
Go To: Top, Condensed phase thermochemistry data, 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.
Nichols and Wads, 1975
Nichols, N.; Wads, I.,
Thermochemistry of solutions of biochemical model compounds. 3. Some benzene derivatives in aqueous solution,
J. Chem. Thermodynam., 1975, 7, 329-336. [all data]
Cardoso, Alexandre, et al., 1998
Cardoso, A.M.; Alexandre, S.M.G.; Barros, C.M.F.; Ferrer-Correia, A.J.; Nibbering, N.M.M.,
Proton Affinities of Phenylalkylamines by the Kinetic Method,
Int. J. Mass Spectrom. Ion. Processes, 1998, 172, 123. [all data]
Domelsmith, Munchausen, et al., 1977
Domelsmith, L.N.; Munchausen, L.L.; Houk, K.N.,
Photoelectron spectra of psychotropic drugs. 1. Phenethylamines, tryptamines, and LSD,
J. Am. Chem. Soc., 1977, 99, 4311. [all data]
Schwarz, Wesdemiotis, et al., 1975
Schwarz, H.; Wesdemiotis, C.; Hess, B.; Levsen, K.,
Massenspektrometrische Untersuchung organischer Stickstoffverbindungen,
Org. Mass Spectrom., 1975, 10, 595. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
AE Appearance energy Cp,liquid Constant pressure heat capacity of liquid - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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