Diisopropylamine

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Gas phase thermochemistry data

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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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-32.58 ± 0.62kcal/molCcbRibeiro da Silva, Ribeiro da Silva, et al., 1997ALS
Δfgas-34.35kcal/molN/ALebedeva, Katin, et al., 1971Value computed using ΔfHliquid° value of -178.4±0.0 kj/mol from Lebedeva, Katin, et al., 1971 and ΔvapH° value of 34.7 kj/mol from Ribeiro da Silva, Ribeiro da Silva, et al., 1997.; DRB

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Δfliquid-40.87 ± 0.62kcal/molCcbRibeiro da Silva, Ribeiro da Silva, et al., 1997 
Δfliquid-42.64 ± 0.01kcal/molCcbLebedeva, Katin, et al., 1971 
Quantity Value Units Method Reference Comment
Δcliquid-1035.8 ± 0.60kcal/molCcbRibeiro da Silva, Ribeiro da Silva, et al., 1997 
Δcliquid-1034.01 ± 0.10kcal/molCcbLebedeva, Katin, et al., 1971 

Phase change data

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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
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
Tboil357. ± 1.KAVGN/AAverage of 14 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus212.15KN/ATimmermans and Mattaar, 1921Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tc522.2KN/AMajer and Svoboda, 1985 
Tc523.1KN/AToczylkin. L.S. and Young, 1980Uncertainty assigned by TRC = 0.52 K; TRC
Quantity Value Units Method Reference Comment
Pc29.81atmN/AToczylkin. L.S. and Young, 1980Uncertainty assigned by TRC = 0.2978 atm; Visual; TRC
Quantity Value Units Method Reference Comment
Δvap8.2 ± 0.1kcal/molAVGN/AAverage of 7 values; Individual data points

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
7.27357.1N/AMajer and Svoboda, 1985 
8.46275.AStephenson and Malanowski, 1987Based on data from 260. to 412. K.; AC
8.51288.AStephenson and Malanowski, 1987Based on data from 273. to 367. K.; AC
8.05 ± 0.02313.CPetros, Majer, et al., 1979AC
7.79 ± 0.02328.CPetros, Majer, et al., 1979AC
7.53 ± 0.02343.CPetros, Majer, et al., 1979AC
7.22 ± 0.02358.CPetros, Majer, et al., 1979AC
8.22315.EBPetros, Majer, et al., 1979Based on data from 300. to 356. K.; AC
8.2291.VLebedeva, Katin, et al., 1971ALS

Enthalpy of vaporization

ΔvapH = A exp(-βTr) (1 − Tr)β
    ΔvapH = Enthalpy of vaporization (at saturation pressure) (kcal/mol)
    Tr = reduced temperature (T / Tc)

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Temperature (K) A (kcal/mol) β Tc (K) Reference Comment
298. to 358.12.860.311522.2Majer and Svoboda, 1985 

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Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: John E. Bartmess

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

C6H14N- + Hydrogen cation = Diisopropylamine

By formula: C6H14N- + H+ = C6H15N

Quantity Value Units Method Reference Comment
Δr390.19 ± 0.50kcal/molG+TSGrimm and Bartmess, 1992gas phase
Quantity Value Units Method Reference Comment
Δr382.80 ± 0.40kcal/molIMREGrimm and Bartmess, 1992gas phase

Gas phase ion energetics data

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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
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)232.3kcal/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity224.3kcal/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
7.6 ± 0.1PEAue, Webb, et al., 1976LLK
7.73 ± 0.03PIWatanabe and Mottl, 1957RDSH

De-protonation reactions

C6H14N- + Hydrogen cation = Diisopropylamine

By formula: C6H14N- + H+ = C6H15N

Quantity Value Units Method Reference Comment
Δr390.19 ± 0.50kcal/molG+TSGrimm and Bartmess, 1992gas phase; B
Quantity Value Units Method Reference Comment
Δr382.80 ± 0.40kcal/molIMREGrimm and Bartmess, 1992gas phase; B

IR Spectrum

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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

Gas Phase Spectrum

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IR spectrum
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Additional Data

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Owner NIST Standard Reference Data Program
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Sadtler Research Labs Under US-EPA Contract
State gas

This IR spectrum is from the NIST/EPA Gas-Phase Infrared Database .


Mass spectrum (electron ionization)

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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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Mass spectrum
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Additional Data

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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 NIST Mass Spectrometry Data Center, 1998.
NIST MS number 291566

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


Gas Chromatography

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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

Kovats' RI, non-polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L100.644.Golovnya, Zhuravleva, et al., 1982Chromosorb G AW (80-100 mesh); Column length: 2.7 m
PackedApiezon L100.641.Zhuravleva, Kapustin, et al., 1976N2 or He, Chromosorb G, AW; Column length: 2.7 m
PackedPMS-100130.629.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPMS-100150.622.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPMS-100180.619.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Kovats' RI, polar column, isothermal

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Column type Active phase Temperature (C) I Reference Comment
PackedPEG-2000120.762.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000150.756.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000152.760.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000179.752.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000180.752.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m
PackedPEG-2000200.740.Anderson, Jurel, et al., 1973He, Celite 545 (44-60 mesh); Column length: 3. m

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-1655.Bartelt, 199730. m/0.32 mm/5. μm, He, 35. C @ 1. min, 10. K/min; Tend: 270. C

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101641.Zenkevich, 200525. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryMethyl Silicone641.Zenkevich, 1999Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ribeiro da Silva, Ribeiro da Silva, et al., 1997
Ribeiro da Silva, M.A.V.; Ribeiro da Silva, M.D.M.C.; Luisa, M.; Gomes, A.C.N.; Johnson, M.; Pilcher, G., Enthalpies of combustion of di-n-propylamine, diisopropylamine, diisobutylamine, and di-sec-butylamine, J. Chem. Thermodyn., 1997, 29, 1025-1030. [all data]

Lebedeva, Katin, et al., 1971
Lebedeva, N.D.; Katin, Y.A.; Akhmedova, G.Y., Enthalpies of formation of dipropylamine, di-isopropylamine, dibutylamine, and di-isobutylamine, Russ. J. Phys. Chem. (Engl. Transl.), 1971, 45, 771-772. [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]

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]

Toczylkin. L.S. and Young, 1980
Toczylkin. L.S.; Young, C.L., Gas-liquid criticl temperatures of mixtures containing electron donors. II. Amine mixtures, J. Chem. Thermodyn., 1980, 12, 365. [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Petros, Majer, et al., 1979
Petros, Libor; Majer, Vladimír; Koubek, Josef; Svoboda, Václav; Pick, Jirí, Temperature dependence of heats of vaporization, saturated vapour pressures and cohesive energies of secondary amines, Collect. Czech. Chem. Commun., 1979, 44, 12, 3533-3540, https://doi.org/10.1135/cccc19793533 . [all data]

Grimm and Bartmess, 1992
Grimm, D.T.; Bartmess, J.E., The Intrinsic (Gas Phase) Basicity of some Anions Commonly Used in Condensed-Phase Synthesis, J. Am. Chem. Soc., 1992, 114, 4, 1227, https://doi.org/10.1021/ja00030a016 . [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]

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]

Golovnya, Zhuravleva, et al., 1982
Golovnya, R.V.; Zhuravleva, I.L.; Svetlova, I.; Terenina, M.B.; Gutnik, S.B., Calculation of gas chromatographic retention indices of secondary amines from structural increments, Zh. Anal. Khim., 1982, 37, 294-300. [all data]

Zhuravleva, Kapustin, et al., 1976
Zhuravleva, I.L.; Kapustin, Yu.P.; Golovnya, P.B., Retention indices of some isoaliphatic and heterocyclic nitrogenous bases, Zh. Anal. Khim., 1976, 31, 1378-1380. [all data]

Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]

Bartelt, 1997
Bartelt, R.J., Calibration of a commercial solid-phase microextraction device for measuring headspace concentrations of organic volatiles, Anal. Chem., 1997, 69, 3, 364-372, https://doi.org/10.1021/ac960820n . [all data]

Zenkevich, 2005
Zenkevich, I.G., Experimentally measured retention indices., 2005. [all data]

Zenkevich, 1999
Zenkevich, I.G., Dependence of Gas Chromatographic Retention Indices on Dynamics Molecular Characteristics, Zh. Fiz. Khim., 1999, 73, 5, 905-910. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References