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Benzene, 1,1'-methylenebis[4-isocyanato-

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Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas189. ± 21.kJ/molCcbZhuravlev, Selivanov, et al., 1975Heat of combustion by Selivanov and Konstantinov, 1970

Condensed 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
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltacliquid-6912. ± 54.kJ/molCcbZalykin and Strepikheev, 1966ALS
Quantity Value Units Method Reference Comment
Deltafsolid-53.0 ± 3.3kJ/molCcbLebedev, Evstropov, et al., 1977see Lebedev, Rabinovich, et al., 1977; ALS
Deltafsolid-56. ± 13.kJ/molCcbZhuravlev, Selivanov, et al., 1975Heat of combustion by Selivanov and Konstantinov, 1970; ALS
Quantity Value Units Method Reference Comment
Deltacsolid-7279. ± 3.3kJ/molCcbLebedev, Evstropov, et al., 1977see Lebedev, Rabinovich, et al., 1977; ALS
Deltacsolid-7276. ± 13.kJ/molCcbSelivanov and Konstantinov, 1970ALS
Quantity Value Units Method Reference Comment
solid,1 bar332.5J/mol*KN/ALebedev, Evstropov, et al., 1977, 2DH
solid,1 bar332.5J/mol*KN/ALebedev, Rabinovich, et al., 1977, 2DH

Constant pressure heat capacity of solid

Cp,solid (J/mol*K) Temperature (K) Reference Comment
307.0298.15Lebedev, Evstropov, et al., 1977, 2T = 12 to 355 K. Data deposited VINITI, No 4328-76, 14 December 1976.; DH
313.300.Lebedev, Rabinovich, et al., 1977, 2T = 13 to 400 K. Data given graphically. Value estimated from graph.; DH
244.8334.Zalikin and Strepikheev, 1966T = 46 to 78°C, mean value.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos
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
Ttriple313.57KN/ALebedev, Evstropov, et al., 1977, 2Uncertainty assigned by TRC = 0.02 K; TRC
Ttriple313.57KN/ALebedev, Rabinovich, et al., 1977, 3Uncertainty assigned by TRC = 0.02 K; TRC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
90.5358.AStephenson and Malanowski, 1987Based on data from 343. - 413. K.; AC
93.8457.AStephenson and Malanowski, 1987Based on data from 442. - 530. K.; AC
78. ± 2.442.VZalykin and Strepikheev, 1966ALS
90.6483.AZalikin and Strepikheev, 1966Based on data from 442. - 530. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (bar)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
442. - 530.2.41991969.926-253.28Zalikin and Strepikheev, 1966Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

DeltasubH (kJ/mol) Temperature (K) Method Reference Comment
27.3 ± 0.1313.6CLebedev, Evstropov, et al., 1977see Lebedev, Rabinovich, et al., 1977; ALS

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
27.300313.57Lebedev, Evstropov, et al., 1977, 2DH
27.300313.57Lebedev, Rabinovich, et al., 1977, 2DH
27.3313.6Domalski and Hearing, 1996See also Lebedev, Evstropov, et al., 1977, 3.; AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
87.1313.57Lebedev, Evstropov, et al., 1977, 2DH
87.1313.57Lebedev, Rabinovich, et al., 1977, 2DH

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:


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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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Mass spectrum
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Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

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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 NIST Mass Spectrometry Data Center, 1994
NIST MS number 134320

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.


References

Go To: Top, Gas phase thermochemistry data, Condensed 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.

Zhuravlev, Selivanov, et al., 1975
Zhuravlev, E.Z.; Selivanov, V.D.; Mulyanov, P.V.; Konstantinov, I.I., Physicochemical properties of 4,4'-dicyclohexylmethane diisocyanate, J. Appl. Chem. USSR, 1975, 1137-1139. [all data]

Selivanov and Konstantinov, 1970
Selivanov, V.D.; Konstantinov, I.I., Correction of the heat of combustion of diphenylmethane-4,4'-diisocyanate, J. Appl. Chem., 1970, 43, 2600-2601. [all data]

Zalykin and Strepikheev, 1966
Zalykin, A.A.; Strepikheev, Yu.A., Certain physicochemical constants of 4,4'-diaminodiphenylmethane and diphenylmethane 4,4'diisocyanate, J. Appl. Chem. USSR (Engl. Transl.), 1966, 39, 2448, In original 2607. [all data]

Lebedev, Evstropov, et al., 1977
Lebedev, B.V.; Evstropov, A.A.; Sadikov, G.B.; Larina, L.F., Thermodynamics of di(4-isocyanatophenyl)methane, Russ. J. Phys. Chem. (Engl. Transl.), 1977, 51, 762-763. [all data]

Lebedev, Rabinovich, et al., 1977
Lebedev, B.V.; Rabinovich, I.B.; Kiparisova, E.G.; Evstropov, A.A.; Korshak, V.V.; Pankratov, V.A.; Larina, L.F., Thermodynamics of the polycyclotrimerization of aromatic dicyanates and diisocyanates, Dokl. Phys. Chem. (Engl. Transl.), 1977, 237, 1081-1084, In original 383. [all data]

Lebedev, Evstropov, et al., 1977, 2
Lebedev, B.V.; Evstropov, A.A.; Sadikov, G.B.; Larina, L.F., Thermodynamics of di(4-isocyanatophenyl)methane, Zhur. Fiz. Khim., 1977, 51, 1285. [all data]

Lebedev, Rabinovich, et al., 1977, 2
Lebedev, B.V.; Rabinovich, I.B.; Kiparisova, Y.G.; Evstropov, A.A.; Korshak, V.V.; Pankratov, V.A.; Larina, L.F., Thermodynamics of the polycyclotrimerization of aromatic dicyanates and diisocyanates, Dokl. Akad. Nauk, 1977, SSSR 237, 383-386. [all data]

Zalikin and Strepikheev, 1966
Zalikin, A.A.; Strepikheev, Yu.A., Some physicochemical constants of 4,4'-diaminodiphenylmethane and 4,4'-diphenylmethanediisocyanate, Zhur. Priklad. Khim., 1966, 39, 2607. [all data]

Lebedev, Rabinovich, et al., 1977, 3
Lebedev, B.V.; Rabinovich, I.B.; Kiparisova, E.G.; Evstropov, A.A.; Korshak, V.V.; Pankratov, V.A., Thermodynamics of the polycyclotrimerization of aromatic dicyanates and diisocyanates, Dokl. Akad. Nauk SSSR, 1977, 237, 383-6. [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]

Lebedev, Evstropov, et al., 1977, 3
Lebedev, B.V.; Evstropov, A.A.; Sadikov, G.B.; Larina, L.F., Russ. J. Phys. Chem., 1977, 51, 762. [all data]


Notes

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