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

• Formula: C₁₅H₁₀N₂O₂
• Molecular weight: 250.2521
• IUPAC Standard InChI: InChI=1S/C15H10N2O2/c18-10-16-14-5-1-12(2-6-14)9-13-3-7-15(8-4-13)17-11-19/h1-8H,9H2 Copy

  
• IUPAC Standard InChIKey: UPMLOUAZCHDJJD-UHFFFAOYSA-N Copy
• CAS Registry Number: 101-68-8
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Other names: p,p'-Diphenylmethane diisocyanate; Isocyanic acid, methylenedi-p-phenylene ester; p,p'-Methylenebis[phenyl isocyanate]; Bis(p-isocyanatophenyl)methane; Bis(1,4-isocyanatophenyl)methane; Bis(4-isocyanatophenyl)methane; Caradate 30; Desmodur 44; Diphenylmethane diisocyanate; Diphenylmethane p,p'-diisocyanate; Diphenylmethane 4,4'-diisocyanate; Hylene M50; Isonate 125 MF; Isonate 125M; Methylenebis[p-phenyl isocyanate]; Methylenebis[p-phenylene isocyanate]; Methylenebis[4-isocyanatobenzene]; Methylenebis[4-phenyl isocyanate]; Methylenebis[4-phenylene isocyanate]; Methylenedi(p-phenyl isocyanate); Methylenedi(p-phenylene diisocyanate); Methylenedi(p-phenylene isocyanate); MDI; MDR; Nacconate 300; 4,4'-Diisocyanatodiphenylmethane; 4,4'-Methylenebis[phenyl isocyanate]; 4,4'-Methylenedi(phenylene isocyanate); 4,4'-Diphenylmethane diisocyanate; 1,1'-Methylenebis(4-isocyanatobenzene); NCI-C50668; Di-(4-isocyanatophenyl)methane; Difenil-metan-diisocianato; Diphenylmethan-4,4'-diisocyanat; Methylbisphenyl isocyanate; Methylene bisphenyl isocyanate; 4,4'-Diisocyanate de diphenylmethane; 4,4'-Methylenedi-p-phenylene diisocyanate; Difenylmethaan-dissocyanaat; Isonate; 4,4'-Methylenediphenyl isocyanate; Rubinate 44; UN 2489; Diphenylmethane 4,4-diisocyanate; Diphenylmethyl diisocyanate; Methylene diphenyl diisocyanate; Methylenedi-p-phenyl diisocyanate; Nocconate 300; Methylenebisphenylene diisocyanate; 4,4'-Methylenediphenyl diisocyanate; Isocyanic acid, diphenylmethylene ester; Diphenylmethylene diisocyanate
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• Information on this page:
  • Phase change data
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Condensed phase thermochemistry data
  • Mass spectrum (electron ionization)
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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
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

Enthalpy of vaporization

Antoine Equation Parameters

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

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Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

References

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

Lebedev, Evstropov, et al., 1977
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
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]

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]

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, Evstropov, et al., 1977, 2
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, 2
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, Rabinovich, et al., 1977, 3
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]

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

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• Symbols used in this document:
  

  Ttriple	Triple point temperature
  ΔfusH	Enthalpy of fusion
  ΔfusS	Entropy of fusion
  ΔsubH	Enthalpy of sublimation
  ΔvapH	Enthalpy of vaporization

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