Paraldehyde

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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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Δfgas-152.1 ± 0.7kcal/molCcbPihlaja and Tuomi, 1970ALS
Quantity Value Units Method Reference Comment
gas89.5 ± 1.2cal/mol*KN/AClegg G.A., 1969GT

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
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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
Tboil401.15KN/AGrimm and Patrick, 1923Uncertainty assigned by TRC = 0.5 K; TRC
Tboil397.15KN/APaul and Schantz, 1919Uncertainty assigned by TRC = 1. K; TRC
Tboil395.KN/AHollmann, 1903Uncertainty assigned by TRC = 1. K; TRC
Tboil397.2KN/AVon Reis, 1881Uncertainty assigned by TRC = 1.5 K; TRC
Tboil396.5KN/ABruhl, 1880Uncertainty assigned by TRC = 1. K; TRC
Quantity Value Units Method Reference Comment
Tfus284.15KN/ABiltz, Fischer, et al., 1930Uncertainty assigned by TRC = 1. K; TRC
Tfus285.65KN/ACooper, 1928Uncertainty assigned by TRC = 0.2 K; TRC
Tfus286.KN/ALouguinine and Dupont, 1911Uncertainty assigned by TRC = 0.5 K; TRC
Tfus285.70KN/AHollmann, 1903Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Ttriple285.7KN/AClegg and Melia, 1969Crystal phase 1 phase; Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Tc563.KN/AHollmann, 1903Uncertainty assigned by TRC = 4. K; TRC
Quantity Value Units Method Reference Comment
Δvap10.9kcal/molN/APihlaja and Tuomi, 1970DRB
Δvap9.9 ± 0.1kcal/molVFletcher, Mortimer, et al., 1959ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
9.92338.AStephenson and Malanowski, 1987Based on data from 323. to 396. K.; AC

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
3.231285.7Domalski and Hearing, 1996AC

Entropy of fusion

ΔfusS (cal/mol*K) Temperature (K) Reference Comment
0.433142.7Domalski and Hearing, 1996CAL
1.25147.5
11.31285.7

Enthalpy of phase transition

ΔHtrs (kcal/mol) Temperature (K) Initial Phase Final Phase Reference Comment
0.06159142.7crystaline, IVcrystaline, IIIClegg and Melia, 1969DH
0.1848147.5crystaline, IIIcrystaline, IIClegg and Melia, 1969H and S of transition for c,II/c,I at 230.3 K has been added into H and S of fusion at 285.7 K.; DH
3.2314285.7crystaline, IliquidClegg and Melia, 1969DH

Entropy of phase transition

ΔStrs (cal/mol*K) Temperature (K) Initial Phase Final Phase Reference Comment
0.433142.7crystaline, IVcrystaline, IIIClegg and Melia, 1969DH
1.25147.5crystaline, IIIcrystaline, IIClegg and Melia, 1969H; DH
11.31285.7crystaline, IliquidClegg and Melia, 1969DH

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

Go To: Top, Gas phase thermochemistry data, Phase change data, Gas Chromatography, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


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
PackedSE-30150.755.Tiess, 1984Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
PackedApiezon L120.729.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.734.Bogoslovsky, Anvaer, et al., 1978Celite 545

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
PackedSE-30786.MHA, 9999Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; Tstart: 100. C; Tend: 300. C
CapillaryMDN-5781.van Loon, Linssen, et al., 200560. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
CapillaryDB-5776.Berdague, Denoyer, et al., 199160. m/0.32 mm/1.0 μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C

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

View large format table.

Column type Active phase I Reference Comment
CapillarySE-30763.Vinogradov, 2004Program: not specified
CapillarySPB-1767.Flanagan, Streete, et al., 199760. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillarySPB-1767.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1771.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 μm, Helium; Program: not specified
CapillaryOV-1786.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type Active phase I Reference Comment
CapillaryFFAP1070.Vernin, Metzger, et al., 199360. C @ 8. min, 2. K/min; Column length: 50. m; Column diameter: 0.22 mm; Tend: 230. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryCarbowax 20M1069.Vinogradov, 2004Program: not specified
CapillaryCarbowax 20M1069.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, Notes

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

Pihlaja and Tuomi, 1970
Pihlaja, K.; Tuomi, M., Bond-Bond interactions in organic oxygen compounds. Part II. Anomalous stablization in cis-2,4,6-trimethyl-1,3,5-trioxane, Suom. Kemistil., 1970, 43, 224-226. [all data]

Clegg G.A., 1969
Clegg G.A., Thermodynamics of polymerization of heterocyclic compounds. Part IV. The heat capacity, entropy, enthalpy and free energy of paraldehyde, Makromol. Chem., 1969, 123, 194-202. [all data]

Grimm and Patrick, 1923
Grimm, F.V.; Patrick, W.A., The Dielectric Constastants of Organic Liquids at the Boilin Point, J. Am. Chem. Soc., 1923, 45, 2794. [all data]

Paul and Schantz, 1919
Paul, T.; Schantz, K., The boiling point as indicator of purity and a new apparatus for its determination without thermometer correction., Arch. Pharm. (Weinheim, Ger.), 1919, 257, 87. [all data]

Hollmann, 1903
Hollmann, R., Physical and natural equilibria between the modifications of aldehyde, Z. Phys. Chem., Stoechiom. Verwandtschaftsl., 1903, 43, 129-59. [all data]

Von Reis, 1881
Von Reis, M.A., IV. The Specific Heat of Liquid Organic Compounds and its Relation to Molecular Weight., Ann. Phys. (Leipzig), 1881, 13, 447. [all data]

Bruhl, 1880
Bruhl, J.W., The Chemical Constitution of Organic Compounds in Relation to their Density and their Ability to Propagate Light, Justus Liebigs Ann. Chem., 1880, 203, 1. [all data]

Biltz, Fischer, et al., 1930
Biltz, W.; Fischer, W.; Wunnenberg, E., Molecular and Atomic Volumes. The Volume Requirements of Crystalline Organic Compounds and Low Temperatures, Z. Phys. Chem., Abt. A, 1930, 151, 13-55. [all data]

Cooper, 1928
Cooper, D.L., The Heat Cpacities of Acetaldehyde and Paraldehyde, and the Heat of Transformation of Acetaldehyde into Paraldehyde, Proc. Trans. N. S. Inst. Sci., Pt. 1, 1928, 17. 82-90. [all data]

Louguinine and Dupont, 1911
Louguinine, W.; Dupont, G., The heat of fusion of substances which melt at ordinary temperatures., Bull. Soc. Chim. Fr., 1911, 9, 219-224. [all data]

Clegg and Melia, 1969
Clegg, G.A.; Melia, T.P., Thermodynamics of polymerization of heterocyclic compounds. Part IV. The heat capacity, entropy, enthalpy and free energy of paraldehyde, Makromol. Chem., 1969, 123, 194-202. [all data]

Fletcher, Mortimer, et al., 1959
Fletcher, S.E.; Mortimer, C.T.; Springall, H.D., Heats of combustion and molecular structure. Part VII. 1:3-dioxa- and 1:3:5-trioxa-cycloalkanes, J. Chem. Soc., 1959, 580-584. [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]

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]

Tiess, 1984
Tiess, D., Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30, Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

MHA, 9999
MHA, Directorate of ForensicScience., Forensic Toxicology, 9999. [all data]

van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J., Identification and olfactometry of French fries flavour extracted at mouth conditions, Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005 . [all data]

Berdague, Denoyer, et al., 1991
Berdague, J.-L.; Denoyer, C.; Le Quéré, J.-L.; Semon, E., Volatile components of dry-cured ham, J. Agric. Food Chem., 1991, 39, 7, 1257-1261, https://doi.org/10.1021/jf00007a012 . [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Vernin, Metzger, et al., 1993
Vernin, G.; Metzger, J.; Sultan, A.A.M.; El-Shafei, A.K.; Párkányi, C., Heterocyclic compounds in model systems for the Maillard reaction. Reactions of aldehydes with ammonium sulfide in the presence or absence of acetoin, Am. Chem. Soc. Symp. Ser., 1993, 528, 36-55. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, References