1,5-Pentanediamine
- Formula: C5H14N2
- Molecular weight: 102.1781
- IUPAC Standard InChIKey: VHRGRCVQAFMJIZ-UHFFFAOYSA-N
- CAS Registry Number: 462-94-2
- 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: Pentamethylenediamine; Pentane-1,5-diamine; Animal coniine; Cadaverine; 1,5-Diaminopentane; H2N(CH2)5NH2; Cadaverin; 1,5-Pentamethylenediamine
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Phase change 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 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 | 452.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 451.65 | K | N/A | Perkin, 1889 | Uncertainty assigned by TRC = 1.5 K; TRC |
Tboil | 452.65 | K | N/A | Perkin, 1889 | Uncertainty assigned by TRC = 2. K; TRC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.127 | 285. | DSC | Dall'Acqua, Della Gatta, et al., 2002 | AC |
Gas phase ion energetics data
Go To: Top, Phase change data, 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) | 238.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 226.1 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Proton affinity at 298K
Proton affinity (kcal/mol) | Reference | Comment |
---|---|---|
234.3 | 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 |
240.8 | Wang, Chu, et al., 1999 | KM results obtained from CID of complexes with secondary amines using Fenselau/Wesdemiotis correction; MM |
References
Go To: Top, Phase change 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.
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]
Perkin, 1889
Perkin, W.H.,
The Magneto Rotatory Power of Nitrogne Compounds. also of Hydrochloric Hydrobromic and Hydroioidic Acids and of some of the Salts of Ammonia and the Compound Ammonias,
J. Chem. Soc., 1889, 55, 680. [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]
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]
Notes
Go To: Top, Phase change data, Gas phase ion energetics data, References
- Symbols used in this document:
Tboil Boiling point ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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