Pentaerythritol Tetranitrate

Formula: C₅H₈N₄O₁₂
Molecular weight: 316.1366
IUPAC Standard InChI: InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2
IUPAC Standard InChIKey: TZRXHJWUDPFEEY-UHFFFAOYSA-N
CAS Registry Number: 78-11-5
Chemical structure:
This structure is also available as a 2d Mol file
Other names: 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate (ester); Angicap; Angitet; Antora; Arcotrate; Baritrate; Cardiacap; CHOT; Deltrate-20; Dilcoran-80; Dipentrate; Duotrate; Erinit; Extex; Hasethrol; Kaytrate; Lentrat; Lowetrate; Martrate-45; Metranil; Mycardol; Myotrate 10; Neo-Corovas; Neopentanetetrayl nitrate; Niperyt; Niperyth; Nitrinal; Nitro-Riletten; Nitropent; Nitropenta; Nitropenta 7W; Nitropentaerythrite; Nitropentaerythritol; Nitropenton; Nitrotalans; Pen-Tetra; Pencard; Pentaerythrityl tetranitrate; Pentafin; Pentanitrine; Pentanitrol; Pentestan-80; Pentetrate Unicelles; Penthrit; Penthrite; Pentitrate; Pentral 80; Pentrate; Pentrinat; Pentrite; Pentritol; Pentryate; Pergitral; Peridex; Peridex-LA; Peritrate; Perityl; Prevangor; PETN; Quintrate; Rythritol; Subicard; Tanipent; Tentrate-20; Tetranitropentaerythrite; Tetranitropentaerythritol; Tetrasule; Tranite D-Lay; TEN; Vaso-80 Unicelles; Vasodiatol; Vasolat; XTX 8003; 2,2-Bis(Hydroxymethyl)-1,3-propanediol tetranitrate; 1,3-Propanediol, 2,2-bis[(nitrooxy)methyl]-, dinitrate; P.E.T.N.; Pentaerithrityl Tetranitrate; 2,2-Bis[(nitrooxy)methyl]-1,3-propanediol dinitrate (ester); Pentafilin; Pentritol tempules; Terpate; 1,3-Propanediol, 2,2-bis((nitrooxy)methyl)-, 1,3-dinitrate; Tena; C 2; C 2 (explosive); Nitrine; Nitrolong
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Condensed phase thermochemistry data

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Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_solid	-128.7 ± 0.2	kcal/mol	Ccb	Ornellas, Carpenter, et al., 1966	Heat of combustion corrected for pressure
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_solid	-614.8 ± 0.2	kcal/mol	Ccb	Ornellas, Carpenter, et al., 1966	Heat of combustion corrected for pressure
Δ_cH°_solid	-614.20 ± 0.60	kcal/mol	Ccb	Burlot, 1939	Reanalyzed by Cox and Pilcher, 1970, Original value = -620.14 kcal/mol

Phase change data

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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

Quantity	Value	Units	Method	Reference	Comment
Δ_subH°	35.95 ± 0.31	kcal/mol	ME	Cundall, Frank Palmer, et al., 1978	Based on data from 328. to 405. K.; AC
Δ_subH°	36.3 ± 0.5	kcal/mol	V	Edwards, 1953	ALS

Enthalpy of sublimation

Δ_subH (kcal/mol)	Temperature (K)	Method	Reference	Comment
37.5 ± 0.2	369.	TE	Lau, Hildenbrand, et al., 2004	Based on data from 356. to 382. K.; AC
36.30 ± 0.50	370. to 411.	N/A	Edwards, 1953	See also Jones, 1960 and Cox and Pilcher, 1970, 2.; AC

References

Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes

Ornellas, Carpenter, et al., 1966
Ornellas, D.L.; Carpenter, J.H.; Gunn, S.R., Detonation calorimeter and results obtained with pentaerythritol tetranitrate (PETN), Rev. Sci. Instrum., 1966, 37, 907-912. [all data]

Burlot, 1939
Burlot, E., Etude relative a la calorimetrie des explosifs, Mem. Poudres, 1939, 29, 226-260. [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]

Cundall, Frank Palmer, et al., 1978
Cundall, Robert B.; Frank Palmer, T.; Wood, Colin E.C., Vapour pressure measurements on some organic high explosives, J. Chem. Soc., Faraday Trans. 1, 1978, 74, 0, 1339, https://doi.org/10.1039/f19787401339 . [all data]

Edwards, 1953
Edwards, G., The vapour pressure of cyclo-trimethylenetrinitramine (cyclonite) and pentaerythritoltetranitrate, Trans. Faraday Soc., 1953, 49, 152. [all data]

Lau, Hildenbrand, et al., 2004
Lau, Kai H.; Hildenbrand, Donald L.; Crouch-Baker, Steven; Sanjurjo, Angel, Sublimation Pressure and Vapor Molecular Weight of Pentaerythritol Tetranitrate, J. Chem. Eng. Data, 2004, 49, 3, 544-546, https://doi.org/10.1021/je0302203 . [all data]

Jones, 1960
Jones, A.H., Sublimation Pressure Data for Organic Compounds., J. Chem. Eng. Data, 1960, 5, 2, 196-200, https://doi.org/10.1021/je60006a019 . [all data]

Cox and Pilcher, 1970, 2
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press Inc., London, 1970, 643. [all data]

Notes

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Symbols used in this document:

Δ_cH°_solid	Enthalpy of combustion of solid at standard conditions
Δ_fH°_solid	Enthalpy of formation of solid at standard conditions
Δ_subH	Enthalpy of sublimation
Δ_subH°	Enthalpy of sublimation at standard conditions

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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