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Methenamine

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Gas phase thermochemistry data

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

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
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltafgas47.6 ± 0.7kcal/molCcrMansson, Rapport, et al., 1970ALS
Deltafgas47.30kcal/molN/ADelepine and Badoche, 1942Value computed using «DELTA»fHsolid° value of 123.0 kj/mol from Delepine and Badoche, 1942 and «DELTA»subH° value of 74.9 kj/mol from Mansson, Rapport, et al., 1970.; DRB

Condensed phase thermochemistry data

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

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
Deltafsolid29.65 ± 0.18kcal/molCcrMansson, Rapport, et al., 1970ALS
Deltafsolid29.40kcal/molCcbDelepine and Badoche, 1942Author's hf298_condensed=27.10 kcal/mol; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-1003.85 ± 0.16kcal/molCcrMansson, Rapport, et al., 1970ALS
Deltacsolid-1003.6kcal/molCcbDelepine and Badoche, 1942Author's hf298_condensed=27.10 kcal/mol; ALS
Quantity Value Units Method Reference Comment
solid,1 bar39.049cal/mol*KN/AWestrum, 1961DH
solid,1 bar39.049cal/mol*KN/AChang and Westrum, 1960DH

Constant pressure heat capacity of solid

Cp,solid (cal/mol*K) Temperature (K) Reference Comment
36.398298.15Westrum, 1961T = 5 to 350 K. Only value at 298.15 K given.; DH
36.398298.15Chang and Westrum, 1960T = 5 to 350 K.; DH

Phase change data

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

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:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Deltasub19.0 ± 0.1kcal/molGSVerevkin, 2002Based on data from 339. - 378. K.; AC
Deltasub17.9 ± 0.7kcal/molVMansson, Rapport, et al., 1970ALS
Deltasub17.9kcal/molN/AMansson, Rapport, et al., 1970DRB
Deltasub17.9 ± 0.69kcal/molN/AWada, Kishida, et al., 1960See also Westrum, Mansson, et al., 1970.; AC

Enthalpy of sublimation

DeltasubH (kcal/mol) Temperature (K) Method Reference Comment
18.6 ± 0.1359.GSVerevkin, 2002Based on data from 339. - 378. K.; AC
18.4313.AStephenson and Malanowski, 1987Based on data from 298. - 453. K.; AC
18.8316.TE,MEDe Wit, Van Miltenburg, et al., 1983Based on data from 302. - 328. K.; AC
17.7 ± 0.2289.TEBudurov, 1960Based on data from 281. - 298. K.; AC

Gas phase ion energetics data

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

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:
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IE (eV) Method Reference Comment
8.26PEDewar and Worley, 1969RDSH
8.55PECowley, Lattman, et al., 1982Vertical value; LBLHLM
8.53PENelsen and Buschek, 1974Vertical value; LLK

IR Spectrum

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

Data compiled by: Coblentz Society, Inc.

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


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References, Notes

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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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-1244
NIST MS number 228325

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Gas Chromatography

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

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
CapillaryNonpolar1204.Staples and Zeiger, 2008Program: not specified
CapillaryNonpolar1205.Staples and Zeiger, 2008Program: not specified
CapillaryNonpolar1220.Staples and Zeiger, 2008Program: not specified
OtherMethyl Silicone1210.Ardrey and Moffat, 1981Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillarySuperox 0.6; Carbowax 20M2014.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
CapillaryCarbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.2014.Waggott and Davies, 1984Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Lee's RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryDB-5MS206.78Chen, Keeran, et al., 200230. m/0.25 mm/0.5 «mu»m, 40. C @ 1. min, 10. K/min; Tend: 310. C

References

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

Mansson, Rapport, et al., 1970
Mansson, M.; Rapport, N.; Westrum, E.F., Jr., Enthalpies of formation of globular molecules. I. Adamantane and hexamethylenetetramine, J. Am. Chem. Soc., 1970, 92, 7296-7299. [all data]

Delepine and Badoche, 1942
Delepine, M.; Badoche, M., Thermochimie de l'aldehyde formique, de l'hexamethylene-tetramine et de ses derive, C. R. Acad. Sci. Paris, 1942, 214, 777-780. [all data]

Westrum, 1961
Westrum, E.F., Jr., The thermophysical properties of three globular molecules, J. Phys. Chem. Solids, 1961, 18, 83-85. [all data]

Chang and Westrum, 1960
Chang, S.-S.; Westrum, E.F., Jr., Heat capacities and thermodynamic properties of globular molecules. I. Adamantane and hexamethylenetetramine, J. Phys. Chem., 1960, 64, 1547-1551. [all data]

Verevkin, 2002
Verevkin, Sergey P., Relationships among strain energies of mono- and poly-cyclic cyclohexanoid molecules and strain of their component rings, The Journal of Chemical Thermodynamics, 2002, 34, 2, 263-275, https://doi.org/10.1006/jcht.2001.0896 . [all data]

Wada, Kishida, et al., 1960
Wada, Tadayoshi; Kishida, Etsuko; Tomiie, Yujiro; Suga, Hiroshi; Seki, Syûzô; Nitta, Isamu, Crystal Structure and Thermodynamical Investigations of Triethylenediamine, C6H12N2, Bull. Chem. Soc. Jpn., 1960, 33, 9, 1317-1318, https://doi.org/10.1246/bcsj.33.1317 . [all data]

Westrum, Mansson, et al., 1970
Westrum, Edgar F.; Mansson, Margret.; Rapport, Naomi., Enthalpies of formation of globular molecules. I. Adamantane and hexamethylenetetramine, J. Am. Chem. Soc., 1970, 92, 25, 7296-7299, https://doi.org/10.1021/ja00728a011 . [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]

De Wit, Van Miltenburg, et al., 1983
De Wit, H.G.M.; Van Miltenburg, J.C.; De Kruif, C.G., Thermodynamic properties of molecular organic crystals containing nitrogen, oxygen, and sulphur 1. Vapour pressures and enthalpies of sublimation, The Journal of Chemical Thermodynamics, 1983, 15, 7, 651-663, https://doi.org/10.1016/0021-9614(83)90079-4 . [all data]

Budurov, 1960
Budurov, S., Izv. Khim. Inst. Bulg. Akad. Nauk, 1960, 7, 281. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Cowley, Lattman, et al., 1982
Cowley, A.H.; Lattman, M.; Stricklen, P.M.; Verkade, J.G., UV photoelectron spectroscopic investigation of some polycyclic group 5A compounds and related acyclic species. 1. Free and coordinated aminophosphines and related compounds, Inorg. Chem., 1982, 21, 543. [all data]

Nelsen and Buschek, 1974
Nelsen, S.F.; Buschek, J.M., Photoelectron spectra of some cyclic di- and polyamines. Lone pair-lone pair interaction in 1,3- and 1,4-diamines, J. Am. Chem. Soc., 1974, 96, 7930. [all data]

Staples and Zeiger, 2008
Staples, E.; Zeiger, K., On-Site Measurements of VOCs and Odors from Metal Casting Operations Using an Ultra-Fast Gas Chromatograph, 2008, retrieved from http://www.estcal.com/TechPapers/Industrial/FoundryOdors.doc. [all data]

Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C., Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase, J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1 . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Chen, Keeran, et al., 2002
Chen, P.H.; Keeran, W.S.; Van Ausdale, W.A.; Schindler, D.R.; Roberts, D.W., Application of Lee retention indices to the confirmation of tentatively identified compounds from GC/MS analysis of environmental samples, Technical paper, Analytical Services Division, Environmental ScienceEngineering, Inc, PO Box 1703, Gainesville, FL 32602, 2002, 11. [all data]


Notes

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