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Butanedinitrile

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

Quantity Value Units Method Reference Comment
Deltafgas209.7 ± 0.88kJ/molCcrRapport, Westrum, et al., 1971 

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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltafsolid139.7 ± 0.67kJ/molCcrRapport, Westrum, et al., 1971ALS
Quantity Value Units Method Reference Comment
Deltacsolid-2285.4 ± 0.59kJ/molCcrRapport, Westrum, et al., 1971ALS
Quantity Value Units Method Reference Comment
solid,1 bar191.59J/mol*KN/AWulff and Westrum, 1963crystaline, I phase; DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
145.60298.15Wulff and Westrum, 1963crystaline, I phase; T = 5 to 350 K.; DH

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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis

Quantity Value Units Method Reference Comment
Tboil539.2KN/AWeast and Grasselli, 1989BS
Quantity Value Units Method Reference Comment
Tfus330. ± 5.KAVGN/AAverage of 11 values; Individual data points
Quantity Value Units Method Reference Comment
Ttriple331.22KN/AAnonymous, 1988Uncertainty assigned by TRC = 0.005 K; nominal value, from the catalog; TRC
Ttriple331.23KN/AMarsh, 1987Uncertainty assigned by TRC = 0.005 K; recommended as calibration standard; TRC
Ttriple331.23KN/AMangum and El-Sabban, 1985Uncertainty assigned by TRC = 0.0015 K; temp. on IPTS-68, as a triple point reference standard; TRC
Ttriple331.16KN/AWulff and Westrum, 1963, 2Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Deltasub70.0kJ/molN/ARapport, Westrum, et al., 1971DRB

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Reference Comment
70. ± 0.3289.Woodman, Murbach, et al., 1960Based on data from 279. - 298. K. See also Pedley and Rylance, 1977, Westrum, Rapport, et al., 1971, and Stull, Westrum, et al., 1969.; AC

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Method Reference Comment
3.704334.N/ARai, Singh, et al., 1987DH
3.7329.7DSCRai and Reddi, 2009AC
3.75330.3DSCBadea, Blanco, et al., 2007AC
3.7331.2ACDomalski and Hearing, 1996Based on data from 5. - 350. K. See also Wulff and Westrum, 1963.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
11.1334.Rai, Singh, et al., 1987DH

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
26.57233.3Domalski and Hearing, 1996CAL
11.21331.2

Enthalpy of phase transition

DeltaHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
6.1994233.3crystaline, IIcrystaline, IWulff and Westrum, 1963DH
3.7033331.16crystaline, IliquidWulff and Westrum, 1963DH

Entropy of phase transition

DeltaStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
26.57233.3crystaline, IIcrystaline, IWulff and Westrum, 1963DH
11.18331.16crystaline, IliquidWulff and Westrum, 1963DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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: Coblentz Society, Inc.

Condensed Phase Spectrum

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IR spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.

Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

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Owner COBLENTZ SOCIETY
Collection (C) 2018 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin DOW CHEMICAL COMPANY
Source reference COBLENTZ NO. 10256
Date 1964/11/02
Name(s) succinonitrile
SUCCINONITRILE
State LIQUID (NEAT)
Instrument DOW KBr FOREPRISM-GRATING
Instrument parameters BLAZED AT 3.5, 12.0, 20.0 MICRON, CHANGED AT 5.0, 7.5, 14.9 MICRON
Path length SMEAR, KBr CRYSTALS
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS)

This IR spectrum is from the Coblentz Society's evaluated infrared reference spectra collection.


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

View image of digitized spectrum (can be printed in landscape orientation).

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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
NIST MS number 341643

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.


References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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.

Rapport, Westrum, et al., 1971
Rapport, N.J.; Westrum, E.F., Jr.; Andrews, J.T.S., Enthalpies of formation for globular molecules. III. Succinonitrile and triethylenediamine, J. Am. Chem. Soc., 1971, 93, 4363-4365. [all data]

Wulff and Westrum, 1963
Wulff, C.A.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. VI. Succinonitrile, J. Phys. Chem., 1963, 67, 2376-2381. [all data]

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]

Anonymous, 1988
Anonymous, X., , NBS Spec. Publ. (U. S.) 260, 1988. [all data]

Marsh, 1987
Marsh, K.N., Recommended Reference Materials for the Realization of Physicochemical Properties, Blackwell Sci. Pub., Oxford, 1987. [all data]

Mangum and El-Sabban, 1985
Mangum, B.W.; El-Sabban, S., SRM 1970: Succinotitrile Triple-Point Standard - A Temperature Reference Standard Near 58.08 C, J. Res. Natl. Bur. Stand. (U. S.), 1985, 90, 359. [all data]

Wulff and Westrum, 1963, 2
Wulff, C.A.; Westrum, E.F., Heat capacities and thermodynamic properties of globular molecules: vi succinonitrile, J. Phys. Chem., 1963, 67, 2376-81. [all data]

Woodman, Murbach, et al., 1960
Woodman, A.L.; Murbach, W.J.; Kaufman, M.H., Vapor pressure and viscosity relationships for a homologous series of «alpha»,omega-dinitriles, Russ. J. Phys. Chem. (Engl. Transl.), 1960, 64, 658-660. [all data]

Pedley and Rylance, 1977
Pedley, J.B.; Rylance, J., , Computer Analysed Thermochemical Data: Organic and Organometallic Compounds, University of Sussex, Brighton, 1977. [all data]

Westrum, Rapport, et al., 1971
Westrum, Edgar F.; Rapport, Naomi J.; Andrews, John T.S., Enthalpies of formation for globular molecules III. Succinonitrile and triethylenediamine, J. Am. Chem. Soc., 1971, 93, 18, 4363-4365, https://doi.org/10.1021/ja00747a005 . [all data]

Stull, Westrum, et al., 1969
Stull, D.R.; Westrum, E.F., Jr.; Sinke, G.C., The Chemical Thermodyanmics of Organic Compounds, John Wiley & Sons Inc., New York, 1969, 865. [all data]

Rai, Singh, et al., 1987
Rai, U.S.; Singh, O.P.; Singh, N.B., Some thermodynamic aspects of organic eutectics, succinonitrile-phenanthrene system, Indian J. Chem., 1987, 26A, 947-949. [all data]

Rai and Reddi, 2009
Rai, R.N.; Reddi, R.S.B., Thermal, solid--liquid equilibrium, crystallization, and microstructural studies of organic monotectic alloy: 4,4´-Dibromobiphenyl--succinonitrile, Thermochimica Acta, 2009, 496, 1-2, 13-17, https://doi.org/10.1016/j.tca.2009.06.012 . [all data]

Badea, Blanco, et al., 2007
Badea, Elena; Blanco, Ignazio; Della Gatta, Giuseppe, Fusion and solid-to-solid transitions of a homologous series of alkane-«alpha»,«omega»-dinitriles, The Journal of Chemical Thermodynamics, 2007, 39, 10, 1392-1398, https://doi.org/10.1016/j.jct.2007.03.005 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References