1,3-Propanediamine
- Formula: C3H10N2
- Molecular weight: 74.1249
- IUPAC Standard InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N
- CAS Registry Number: 109-76-2
- 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: Propane-1,3-diamine; Trimethylenediamine; 1,3-Diaminopropane; 1,3-Propylenediamine; H2N(CH2)3NH2
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Phase change data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 413.2 | K | N/A | Aldrich Chemical Company Inc., 1990 | BS |
Tboil | 412.9 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 261.2 | K | N/A | Anonymous, 1958 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tfus | 249.65 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 50.18 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 50.2 ± 0.1 | kJ/mol | C | Wadsö, Heikkilä, et al., 1969 | AC |
ΔvapH° | 50.16 ± 0.10 | kJ/mol | C | Wadso, 1969 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Reference |
---|---|---|
40.85 | 412.9 | Majer and Svoboda, 1985 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
12.19 | 262.4 | DSC | Dall'Acqua, Della Gatta, et al., 2002 | AC |
Reaction thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, Ion clustering 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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
(C3H11N2+ • 2) +
= (C3H11N2+ • 3
)
By formula: (C3H11N2+ • 2C3H10N2) + C3H10N2 = (C3H11N2+ • 3C3H10N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 82.4 | kJ/mol | HPMS | Wincel and Herman, 1973 | gas phase; Entropy change is questionable |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 238. | J/mol*K | HPMS | Wincel and Herman, 1973 | gas phase; Entropy change is questionable |
Gas phase ion energetics data
Go To: Top, Phase change data, Reaction thermochemistry data, Ion clustering 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)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 987.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 940.0 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kJ/mol) | Reference | Comment |
---|---|---|
978. ± 4. | Hahn and Wesdemiotis, 2003 | MM |
970.7 | Wang, Chu, et al., 1999 | KM results obtained from CID of complexes with secondary amines at E(cm) = 0 eV, extrapolated from CID at E(cm) = 0.8, 1.5, 2.0 eV; MM |
982.4 | Wang, Chu, et al., 1999 | KM results obtained from CID of complexes with secondary amines using Fenselau/Wesdemiotis correction; MM |
Ion clustering data
Go To: Top, Phase change data, Reaction thermochemistry data, 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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
(C3H11N2+ • 2) +
= (C3H11N2+ • 3
)
By formula: (C3H11N2+ • 2C3H10N2) + C3H10N2 = (C3H11N2+ • 3C3H10N2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 82.4 | kJ/mol | HPMS | Wincel and Herman, 1973 | gas phase; Entropy change is questionable |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 238. | J/mol*K | HPMS | Wincel and Herman, 1973 | gas phase; Entropy change is questionable |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
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- 822 |
NIST MS number | 228932 |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering 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.
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Anonymous, 1958
Anonymous, R.,
, Am. Pet. Inst. Res. Proj. 45, Ohio State Univ., 1958. [all data]
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]
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]
Dall'Acqua, Della Gatta, et al., 2002
Dall'Acqua, Lorenzo; Della Gatta, Giuseppe; Nowicka, Bozenna; Ferloni, Paolo,
Enthalpies and entropies of fusion of ten alkane-α, ω-diamines H2 N-- (CH 2)n-- NH2 where 3≤n≤12,
The Journal of Chemical Thermodynamics, 2002, 34, 1, 1-12, https://doi.org/10.1006/jcht.2001.0950
. [all data]
Wincel and Herman, 1973
Wincel, H.; Herman, J.A.,
Photoionization Study of Clustering Reactions in Diamines: Ethane-1,2-diamine, Propane-1,2-diamine and Propane-1,3-diamine,
J. Chem. Soc. Faraday Trans., 1973, 69, 1797, https://doi.org/10.1039/f19736901797
. [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]
Hahn and Wesdemiotis, 2003
Hahn, I.S.; Wesdemiotis, C.,
Protonation Thermochemistry of beta-Alanine. An Evaluation of Proton Affinities and Entropies Determined by the Extended Kinetic Method,
Int. J. Mass Spectrometry, 2003, 222, 465. [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]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.