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

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
Δsub30.2 ± 0.1kcal/molCImamura, Takahashi, et al., 1989ALS

Enthalpy of sublimation

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

Entropy of sublimation

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

Enthalpy of fusion

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

Entropy of fusion

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

Enthalpy of phase transition

ΔHtrs (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

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

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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

View large format table.

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

References

Go To: Top, Gas phase thermochemistry data, Phase change data, 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]

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-α,ω-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, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References