Oxirane, (phenoxymethyl)-

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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-23.82 ± 0.25kcal/molCcbSteele, Chirico, et al., 1997 
Δfgas-27.82 ± 0.50kcal/molCcbVan-Chin-Syan and Kachurina, 1987 
Δfgas-27.8 ± 0.5kcal/molCcbKuznetsova, Miroshnichenko, et al., 1976 

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:
BS - Robert L. Brown and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil518.2KN/AAldrich Chemical Company Inc., 1990BS
Quantity Value Units Method Reference Comment
Tfus276.79KN/ALebedev, Bykova, et al., 1988DH
Quantity Value Units Method Reference Comment
Ttriple280.KN/ALebedev, Bykova, et al., 1988, 2Uncertainty assigned by TRC = 0.1 K; TRC
Quantity Value Units Method Reference Comment
Tc720.KN/ASteele, Chirico, et al., 1997, 2Uncertainty assigned by TRC = 8. K; TRC
Quantity Value Units Method Reference Comment
Pc29.11atmN/ASteele, Chirico, et al., 1997, 2Uncertainty assigned by TRC = 3.95 atm; derived from fit of obs. vapor pressure; TRC
Quantity Value Units Method Reference Comment
ρc2.16mol/lN/ASteele, Chirico, et al., 1997, 2Uncertainty assigned by TRC = 0.13 mol/l; TRC
Quantity Value Units Method Reference Comment
Δvap16.69kcal/molVSteele, Chirico, et al., 1997ALS
Δvap16.7kcal/molN/ASteele, Chirico, et al., 1997DRB
Δvap16.7 ± 0.2kcal/molEBSteele, Chirico, et al., 1997, 3Based on data from 400. to 532. K.; AC
Δvap15.7 ± 0.02kcal/molVVan-Chin-Syan and Kachurina, 1987ALS
Δvap15.8kcal/molN/AKuznetsova, Miroshnichenko, et al., 1976DRB

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
14.4 ± 0.1400.EBSteele, Chirico, et al., 1997, 3Based on data from 400. to 532. K.; AC
13.6 ± 0.1440.EBSteele, Chirico, et al., 1997, 3Based on data from 400. to 532. K.; AC
12.7 ± 0.1480.EBSteele, Chirico, et al., 1997, 3Based on data from 400. to 532. K.; AC
12.3 ± 0.1500.EBSteele, Chirico, et al., 1997, 3Based on data from 400. to 532. K.; AC
11.8 ± 0.1520.EBSteele, Chirico, et al., 1997, 3Based on data from 400. to 532. K.; AC
15.7 ± 0.02343. to 373.N/AKuznetsova, Miroshinichenko, et al., 1976AC
15.68 ± 0.02343.VKuznetsova, Miroshnichenko, et al., 1976ALS

Enthalpy of fusion

ΔfusH (kcal/mol) Temperature (K) Reference Comment
4.140279.8Lebedev, Bykova, et al., 1988, 3AC

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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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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- 545
NIST MS number 227902

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References

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

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

Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A., Thermodynamic properties and ideal-gas enthalpies of formation for 2-aminoisobutyric acid (2-methylalanine), acetic acid, (4-methyl-3-penten-2-one), 4-methylpent-1-ene, 2,2'-bis(phenylthio)propane, and glycidyl phenyl ether (1,2-epoxy-3-phenoxypropane), J. Chem. Eng. Data, 1997, 42, 1052-1066. [all data]

Van-Chin-Syan and Kachurina, 1987
Van-Chin-Syan, Yu.Ya.; Kachurina, N.S., Thermochemical properties of oxirane derivatives, Russ. J. Phys. Chem. (Engl. Transl.), 1987, 61, 622-624. [all data]

Kuznetsova, Miroshnichenko, et al., 1976
Kuznetsova, V.P.; Miroshnichenko, E.A.; Zelenetskii, A.N.; Rakova, G.V.; Lebedev, Yu.A.; Enikolopyan, N.S., Enthalpies of reactions of epoxides with primary amines, Dokl. Phys. Chem. (Engl. Transl.), 1976, 226, 147-150, In original 1109. [all data]

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Lebedev, Bykova, et al., 1988
Lebedev, B.V.; Bykova, T.A.; Kiparisova, Y.G.; Frenkel, Ts.M.; Fainleib, A.M.; Pankratov, V.A., Thermodynamics of phenyl glycidyl ether and its reactions with diphenylcarbodiimide and phenyl isocyanate with the formation of iminooxazolidinone and oxazolidinone in the range 0-330 K, Izvest. Akad. Nauk SSSR, Ser. Khim., 1988, (6), 1232-1237. [all data]

Lebedev, Bykova, et al., 1988, 2
Lebedev, B.V.; Bykova, T.A.; Kiparisova, E.G.; Frenkel, Ts.M.; Fainleib, A.M.; Pankratov, V.A., Bull. Acad. Sci. USSR, Div. Chem. Sci. (Eng. Tran.), 1988, 37. [all data]

Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A., Thermodynamic Properties and Ideal-Gas Enthalpies of FOrmation for 2-Aminoisobutyric Acid (2-Methylalanine), Acetic Acid, (Z)-5-Ethylidene-2- norbornene, Mesityl Oxide (4-Methyl-3-pentene-2-one), 4-M, J. Chem. Eng. Data, 1997, 42, 1053-66. [all data]

Steele, Chirico, et al., 1997, 3
Steele, W.V.; Chirico, R.D.; Cowell, A.B.; Knipmeyer, S.E.; Nguyen, A., Thermodynamic Properties and Ideal-Gas Enthalpies of Formation for 2-Aminoisobutyric Acid (2-Methylalanine), Acetic Acid, ( Z )-5-Ethylidene-2-norbornene, Mesityl Oxide (4-Methyl-3-penten-2-one), 4-Methylpent-1-ene, 2,2'-Bis(phenylthio)propane, and Glycidyl Phenyl Ether (1,2-Epoxy-3-phenoxypropane), J. Chem. Eng. Data, 1997, 42, 6, 1053-1066, https://doi.org/10.1021/je970099y . [all data]

Kuznetsova, Miroshinichenko, et al., 1976
Kuznetsova, V.P.; Miroshinichenko, E.A.; Zelenetskii, A.Z.; Rokova, G.V.; Lebedev, Y.A.; Enikolopyan, N.S., Dokl. Phys. Chem., 1976, 226, 147. [all data]

Lebedev, Bykova, et al., 1988, 3
Lebedev, B.V.; Bykova, T.A.; Kiparisova, E.G.; Frenkel', Ts.M.; Fainleib, A.M.; Pankratov, V.A., Thermodynamics of phenyl glycidyl ether and its reactions with diphenylcarbodiimide and phenyl isocyanate with the formation of iminooxazolidine and oxazolidinone in the 0?330 K range, Russ Chem Bull, 1988, 37, 6, 1082-1086, https://doi.org/10.1007/BF00961904 . [all data]


Notes

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