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Propanediamide

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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
Deltafgas-99.52 ± 0.1kcal/molCcrImamura, Takahashi, et al., 1989 

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
Deltafsolid-129.73 ± 0.13kcal/molCcrImamura, Takahashi, et al., 1989ALS
Deltafsolid-130.52 ± 0.36kcal/molCcbTavernier and Lamouroux, 1955Reanalyzed by Cox and Pilcher, 1970, Original value = -129.73 ± 0.36 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-357.364 ± 0.062kcal/molCcrImamura, Takahashi, et al., 1989ALS
Deltacsolid-356.58 ± 0.36kcal/molCcbTavernier and Lamouroux, 1955Reanalyzed by Cox and Pilcher, 1970, Original value = -357.37 ± 0.36 kcal/mol; ALS

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
29.6298.15Imamura, Takahashi, et al., 1989One temperature, estimated.; 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
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

Quantity Value Units Method Reference Comment
Deltasub30.2 ± 0.1kcal/molCImamura, Takahashi, et al., 1989ALS

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Reference Comment
30.2103298.15Imamura, Takahashi, et al., 1989DH

Entropy of sublimation

DeltasubS (cal/mol*K) Temperature (K) Reference Comment
101.3298.15Imamura, Takahashi, et al., 1989DH

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Method Reference Comment
7.134444.2DSCBadea, Gatta, et al., 2006AC
8.56443.N/ADomalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (cal/mol*K) Temperature (K) Reference Comment
1.15393.Domalski and Hearing, 1996CAL
19.31443.

Enthalpy of phase transition

DeltaHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.4541393.crystaline, IIcrystaline, ISakiyama and Imamura, 1989DH
8.5564443.crystaline, IliquidSakiyama and Imamura, 1989DH

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 WYANDOTTE CHEMICALS CORP., WYANDOTTE, MICHIGAN, USA
Source reference COBLENTZ NO. 286
Date Not specified, most likely prior to 1970
State SOLID (MULL)
Instrument Not specified, most likely a prism, grating, or hybrid spectrometer.
Resolution 4
Sampling procedure TRANSMISSION
Data processing DIGITIZED BY NIST FROM HARD COPY
Melting point 171-173 C

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

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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 Japan AIST/NIMC Database- Spectrum MS-NW-4990
NIST MS number 230068

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

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

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Column type Active phase I Reference Comment
CapillaryDB-11125.Touafek, Nacer, et al., 200530. m/0.25 mm/0.25 «mu»m, He; Program: 45C => 3C/min => 175C => 15C/min => 300C (15min)

References

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

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

Imamura, Takahashi, et al., 1989
Imamura, A.; Takahashi, K.; Murata, S.; Sakiyama, M., Standard enthalpies of formation of trimethyl cyanurate, malonamide, and 1,3-dimethyluracil, J. Chem. Thermodyn., 1989, 21, 237-246. [all data]

Tavernier and Lamouroux, 1955
Tavernier, P.; Lamouroux, M., Determinations calorimetriques relatives a douze substances organiques susceptibles d'utilisation dans les poudres, Mem. Poudres, 1955, 37, 197-206. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Badea, Gatta, et al., 2006
Badea, Elena; Gatta, Giuseppe Della; D'Angelo, Domenico; Brunetti, Bruno; Recková, Zuzana, Odd--even effect in melting properties of 12 alkane-«alpha»,«omega»-diamides, The Journal of Chemical Thermodynamics, 2006, 38, 12, 1546-1552, https://doi.org/10.1016/j.jct.2006.04.004 . [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]

Sakiyama and Imamura, 1989
Sakiyama, M.; Imamura, A., Thermoanalytical characterization of 1,3-dimethyluracil and malonamide crystals, Thermochim. Acta, 1989, 142(2), 365-370. [all data]

Touafek, Nacer, et al., 2005
Touafek, O.; Nacer, A.; Kabouche, A.; Kabouche, Z., Analysis of the Essential Oil of Algerian Hypericum perfoliatum (L), Flavour Fragr. J., 2005, 20, 6, 669-670, https://doi.org/10.1002/ffj.1545 . [all data]


Notes

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