Butanediol-alt-Diphenylmethane Diisocyanate
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Butanediol-alt-Diphenylmethane Diisocyanate
 

NAMES AND IDENTIFIERS OF POLYMER

POLYMER CLASS Polyurethane
COMMON NAMESPoly[(1,4-butanediol)-alt-(4,4'-diphenylmethane diisocyanate)], Poly{(butane-1,4-diol)-alt-[bis(4-isocyanatophenyl)methane]}
STRUCTURE BASED NAME Poly(oxybutane-1,4-diyloxycarbonylimino-1,4-phenylenemethylene-1,4-phenyleneiminocarbonyl)
ACRONYMS MDI-BD
CAS #
CurlySMILES O{-}CCCCOC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC{n+}(=O)
 

IDENTIFIERS OF MONOMER(S)

CAS # 110-63-4.101-68-8
COMMON NAMESButanediol, Diphenylmethane diisocyanate
SMILES OCCCCO.O=C=Nc1ccc(cc1)Cc1ccc(cc1)N=C=O
Std. InChI 1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2.1S/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
Std. InChIKey WERYXYBDKMZEQL-UHFFFAOYSA-N.UPMLOUAZCHDJJD-UHFFFAOYSA-N
STRUCTURE
Butanediol / Diphenylmethane diisocyanate
 

Thermo-Physical Properties: Experimental / Literature Data

PROPERTYUNITVALUE / RANGEPREFERRED
Molar Volume VmmL mol-1> 262.4
Density ρg mL-1 < 1.30
Solubility Parameter δMPa1/2
Molar Cohesive Energy EcohJ mol-1
Glass Transition Temperature TgK 342 - 382363
Molar Heat Capacity CpJ (mol K)-1
Entanglement Molecular Weight Meg mol-1
Index of Refraction nnone
Coefficient of Thermal Expansion α10-4 K-1
 

Thermo-Physical Properties: Calculated Data

PROPERTYUNITVALUE / RANGEPREFERRED
Molecular Weight of Repeat unitg mol-1 340.38
Van-der-Waals Volume VvWmL mol-1 185.11
Molar Volume VmmL mol-1267.1 - 284.3275.7
Density ρg mL-1 1.20 - 1.271.23
Solubility Parameter δMPa1/2 23.2 - 24.123.5
Molar Cohesive Energy EcohJ mol-1 149700 - 154600152400
Glass Transition Temperature TgK 323, 369369
Molar Heat Capacity CpJ (mol K)-1575
Entanglement Molecular Weight Meg mol-12200
Index of Refraction nnone1.57
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