| POLYMER CLASS | Polyurethane |
| COMMON NAMES | Poly[(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) |
| CAS # | 25190-06-1.101-68-8 |
| COMMON NAMES | Poly(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 |
|
| PROPERTY | UNIT | VALUE / RANGE | PREFERRED |
| Molar Volume Vm | mL mol-1 | 1218 | |
| Density ρ | g mL-1 | 1.05 | |
| Solubility Parameter δ | MPa1/2 | ||
| Molar Cohesive Energy Ecoh | J mol-1 | ||
| Glass Transition Temperature Tg | K | 223 | |
| Molar Heat Capacity Cp | J (mol K)-1 | ||
| Entanglement Molecular Weight Me | g mol-1 | ||
| Index of Refraction n | none | ||
| Coefficient of Thermal Expansion α | 10-4 K-1 |
| PROPERTY | UNIT | VALUE / RANGE | PREFERRED |
| Molecular Weight of Repeat unit | g mol-1 | 1278 | |
| Van-der-Waals Volume VvW | mL mol-1 | 745 | |
| Molar Volume Vm | mL mol-1 | 1177 - 1205 | 1191 |
| Density ρ | g mL-1 | 1.06 - 1.09 | 1.07 |
| Solubility Parameter δ | MPa1/2 | 19.4 - 20.1 | 19.7 |
| Molar Cohesive Energy Ecoh | J mol-1 | 455000 - 475000 | 463500 |
| Glass Transition Temperature Tg | K | 225 - 240 | 233 |
| Molar Heat Capacity Cp | J (mol K)-1 | 2538 | |
| Entanglement Molecular Weight Me | g mol-1 | 2225 | |
| Index of Refraction n | none | 1.50 |