PTMG-1000-alt-Diphenylmethane Diisocyanate
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Poly[(tetrahydrofuran 1000)-alt-(4,4'-diphenylmethane diisocyanate)]
 

NAMES AND IDENTIFIERS OF POLYMER

POLYMER CLASS Polyurethane
COMMON NAMESPoly[(tetramethylene ether glycol 1000)-alt-(4,4'-diphenylmethane diisocyanate)],
Poly[(Poly(tetrahydrofuran 1000)-alt-(4,4'-diphenylmethane diisocyanate)]
STRUCTURE BASED NAME  
ACRONYMS PTMG 1000 - MDI
CAS #
CurlySMILES O{-}(CCCCO)13CCCCO(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC{n+}(=O)
 

IDENTIFIERS OF MONOMER(S)

CAS # 25190-06-1.101-68-8
COMMON NAMESPoly(tetramethylene ether glycol) (MW = 1000), Diphenylmethane diisocyanate
SMILES (OCCCC)14O.O=C=Nc1ccc(cc1)Cc1ccc(cc1)N=C=O
Std. InChI InChI=1S/C56H114O15/c57-29-1-3-31-59-33-5-7-35-61-37-9-11-39-63-41-13-15-43-65-45-17
-19-47-67-49-21-23-51-69-53-25-27-55-71-56-28-26-54-70-52-24-22-50-68-48-20-18-46
-66-44-16-14-42-64-40-12-10-38-62-36-8-6-34-60-32-4-2-30-58/h57-58H,1-56H2.
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
Std. InChIKey MOFIUJBHNOBCDC-UHFFFAOYSA-N.UPMLOUAZCHDJJD-UHFFFAOYSA-N
STRUCTURE
PTMO-1000 / Diphenylmethane diisocyanate
 

Thermo-Physical Properties: Experimental / Literature Data

PROPERTYUNITVALUE / RANGEPREFERRED
Molar Volume VmmL mol-1 1218
Density ρg mL-1 1.05
Solubility Parameter δMPa1/2
Molar Cohesive Energy EcohJ mol-1
Glass Transition Temperature TgK 223 
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 1278
Van-der-Waals Volume VvW mL mol-1 745
Molar Volume VmmL mol-1 1177 - 12051191
Density ρg mL-1 1.06 - 1.091.07
Solubility Parameter δMPa1/2 19.4 - 20.119.7
Molar Cohesive Energy EcohJ mol-1 455000 - 475000463500
Glass Transition Temperature TgK 225 - 240233
Molar Heat Capacity CpJ (mol K)-1 2538
Entanglement Molecular Weight Meg mol-1 2225
Index of Refraction nnone 1.50
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