1-Propanol, 3-amino-
- Formula: C3H9NO
- Molecular weight: 75.1097
- IUPAC Standard InChIKey: WUGQZFFCHPXWKQ-UHFFFAOYSA-N
- CAS Registry Number: 156-87-6
- 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: β-Alaninol; γ-Aminopropanol; Propanolamine; 1-Amino-3-propanol; 3-Amino-1-propanol; 3-Aminopropyl alcohol; 3-Hydroxypropylamine; 3-Propanolamine; NH2(CH2)3OH; 3-Aminopropanol; 3-Aminopropanol-(1); 1-Amino-3-hydroxypropane; 1,3-Propanolamine; 3-Hydroxy-1-aminopropane; 3-Hydroxy-1-propylamine; NSC 7766; 3-aminopropan-1-ol
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Phase change data
Go To: Top, Gas phase ion energetics data, Mass spectrum (electron ionization), 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 460.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 461. | K | N/A | Buckingham and Donaghy, 1982 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 284.7 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.35 K; TRC |
Tfus | 285.55 | K | N/A | Witschonke, 1954 | Uncertainty assigned by TRC = 0.2 K; TRC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
16.9 | 284.1 | Cacela, Baudot, et al., 2003 | AC |
Gas phase ion energetics data
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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)
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
View reactions leading to C3H9NO+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 962.5 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 917.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kJ/mol) | Reference | Comment |
---|---|---|
>945.3 | Bouchoux, Buisson, et al., 2003 | MM |
>936.0 | Bouchoux, Buisson, et al., 2003 | MM |
>953.5 ± 1.6 | Bouchoux, Buisson, et al., 2003 | MM |
Gas basicity at 298K
Gas basicity (review) (kJ/mol) | Reference | Comment |
---|---|---|
912.5 | Bouchoux, Buisson, et al., 2003 | MM |
903.8 | Bouchoux, Buisson, et al., 2003 | MM |
921.3 ± 1.2 | Bouchoux, Buisson, et al., 2003 | MM |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.0 | PE | Leavell, Steichen, et al., 1973 | LLK |
9.77 ± 0.20 | PE | Leavell, Steichen, et al., 1973 | Vertical value; LLK |
Mass spectrum (electron ionization)
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
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 | Japan AIST/NIMC Database- Spectrum MS-NW-8463 |
NIST MS number | 228625 |
References
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M.,
Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]
Witschonke, 1954
Witschonke, C.R.,
Freezing point and purity data for some organic compounds,
Anal. Chem., 1954, 26, 562-4. [all data]
Cacela, Baudot, et al., 2003
Cacela, C.; Baudot, A.; Duarte, M.L.; Matos-Beja, A.M.; Ramos Silva, M.; Paixão, J.A.; Fausto, R.,
Low temperature polymorphism in 3-amino-1-propanol,
Journal of Molecular Structure, 2003, 649, 1-2, 143-153, https://doi.org/10.1016/S0022-2860(03)00049-8
. [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]
Bouchoux, Buisson, et al., 2003
Bouchoux, G.; Buisson, D.A.; Bourcier, S.; Sablier, M.,
Application of the kinetic method to bifunctional bases. ESI tandem quadrupole experiments,
Int. J. Mass Spectrom., 2003, 228, 1035. [all data]
Leavell, Steichen, et al., 1973
Leavell, S.; Steichen, J.; Franklin, J.L.,
Photoelectron spectra of intramolecularly hydrogen bonded compounds,
J. Chem. Phys., 1973, 59, 4343. [all data]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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