- 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
- InChI Key
- UPMLOUAZCHDJJD-UHFFFAOYSA-N
- Formula
- C15H10N2O2
- SMILES
-
O=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc
1 - Molecular Weight1
- 250.25
- CAS
- 101-68-8
- 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
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°solid,1 bar : Solid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Ttriple : Triple Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -6912.00 ± 54.00 | kJ/mol | NIST |
| ΔcH°solid | [-7279.00; -7276.00] | kJ/mol |
|
| ΔcH°solid | -7279.00 ± 3.30 | kJ/mol | NIST |
| ΔcH°solid | -7276.00 ± 13.00 | kJ/mol | NIST |
| ΔfH°gas | 189.00 ± 21.00 | kJ/mol | NIST |
| ΔfH°solid | [-56.00; -53.00] | kJ/mol |
|
| ΔfH°solid | -53.00 ± 3.30 | kJ/mol | NIST |
| ΔfH°solid | -56.00 ± 13.00 | kJ/mol | NIST |
| ΔvapH° | 73.92 | kJ/mol | Joback Calculated Property |
| log10WS | -12.54 | Crippen Calculated Property | |
| logPoct/wat | 3.212 | Crippen Calculated Property | |
| McVol | 189.190 | ml/mol | McGowan Calculated Property |
| Pc | 2835.36 | kPa | Joback Calculated Property |
| S°solid,1 bar | [332.50; 332.50] | J/mol×K |
|
| S°solid,1 bar | 332.50 | J/mol×K | NIST |
| S°solid,1 bar | 332.50 | J/mol×K | NIST |
| Tboil | 739.26 | K | Joback Calculated Property |
| Tc | 984.01 | K | Joback Calculated Property |
| Ttriple | [313.57; 313.57] | K |
|
| Ttriple | 313.57 ± 0.02 | K | NIST |
| Ttriple | 313.57 ± 0.02 | K | NIST |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,solid | [244.80; 313.00] | J/mol×K | [298.15; 334.00] |
|
| Cp,solid | 307.00 | J/mol×K | 298.15 | NIST |
| Cp,solid | 313.00 | J/mol×K | 300.00 | NIST |
| Cp,solid | 244.80 | J/mol×K | 334.00 | NIST |
| ΔfusH | [27.30; 27.30] | kJ/mol | [313.57; 313.60] |
|
| ΔfusH | 27.30 | kJ/mol | 313.57 | NIST |
| ΔfusH | 27.30 | kJ/mol | 313.57 | NIST |
| ΔfusH | 27.30 | kJ/mol | 313.60 | NIST |
| ΔsubH | 27.30 ± 0.10 | kJ/mol | 313.60 | NIST |
| ΔvapH | [78.00; 93.80] | kJ/mol | [378.00; 486.00] |
|
| ΔvapH | 90.50 | kJ/mol | 378.00 | NIST |
| ΔvapH | 78.00 ± 2.00 | kJ/mol | 442.00 | NIST |
| ΔvapH | 93.80 | kJ/mol | 486.00 | NIST |
| ΔvapH | 90.60 | kJ/mol | 486.00 | NIST |
| ΔfusS | [87.10; 87.10] | J/mol×K | [313.57; 313.57] |
|
| ΔfusS | 87.10 | J/mol×K | 313.57 | NIST |
| ΔfusS | 87.10 | J/mol×K | 313.57 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1,1'-methylenebis[4-isocyanato-.
Sources
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