Tetramethylbutanedinitrile

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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
Δfgas100.6kJ/molCcbBarbe, Beckhaus, et al., 1983 
Δfgas101. ± 2.kJ/molCcbLebedeva and Katin, 1973Heat of combustion is not reported

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
Δfsolid14.9 ± 1.3kJ/molCcbBarbe, Beckhaus, et al., 1983 
Δfsolid19.9 ± 0.63kJ/molCcbLebedeva and Katin, 1973Heat of combustion is not reported
Quantity Value Units Method Reference Comment
Δcsolid-4878.0 ± 1.3kJ/molCcbBarbe, Beckhaus, et al., 1983 

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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Tfus442.2KN/AMurrill and Breed, 1970Crystal phase 1 phase; Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Δsub85.69kJ/molEBarbe, Beckhaus, et al., 1983ALS
Δsub85.7kJ/molN/ABarbe, Beckhaus, et al., 1983DRB
Δsub81. ± 2.kJ/molVLebedeva and Katin, 1973Heat of combustion is not reported; ALS
Δsub81.1kJ/molN/ALebedeva and Katin, 1973DRB

Enthalpy of fusion

ΔfusH (kJ/mol) Temperature (K) Reference Comment
7.15442.Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (J/mol*K) Temperature (K) Reference Comment
52.48345.Domalski and Hearing, 1996CAL
16.17442.

Enthalpy of phase transition

ΔHtrs (kJ/mol) Temperature (K) Initial Phase Final Phase Reference Comment
18.104345.crystaline, IIcrystaline, IMurrill and Breed, 1970, 2DH
7.146442.crystaline, IliquidMurrill and Breed, 1970, 2DH

Entropy of phase transition

ΔStrs (J/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
52.63345.crystaline, IIcrystaline, IMurrill and Breed, 1970, 2DH
16.19442.crystaline, IliquidMurrill and Breed, 1970, 2DH

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:


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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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 290923

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References

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

Barbe, Beckhaus, et al., 1983
Barbe, W.; Beckhaus, H.D.; Lindner, H.J.; Ruechardt, C., Substituent effects on the carbon-carbon bond strength. 1. Structure and strain enthalpy of tetrasubstituted succinonitriles, Chem. Ber., 1983, 116, 1017-1041. [all data]

Lebedeva and Katin, 1973
Lebedeva, N.D.; Katin, Yu.A., Heats of combustion of oenanthonitrile, adiponitrile, and tetramethylsuccinodinitrile, Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 922. [all data]

Murrill and Breed, 1970
Murrill, E.; Breed, L.W., Solid-solid Phase Transitions Determined by Differential Scanning Calorimetry Part II. Octahederal Substances, Thermochim. Acta, 1970, 1, 409. [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]

Murrill and Breed, 1970, 2
Murrill, E.; Breed, L.W., Solid-solid phase transitions determined by differental scanning calorimetry Part II. Octahedral substances, Thermochim. Acta, 1970, 1, 409-414. [all data]


Notes

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