| POLYMER CLASS | Polyurethane |
| COMMON NAMES | Poly[(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) |
| CAS # | 110-63-4.101-68-8 |
| COMMON NAMES | Butanediol, 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 |
|
| PROPERTY | UNIT | VALUE / RANGE | PREFERRED |
| Molar Volume Vm | mL mol-1 | > 262.4 | |
| Density ρ | g mL-1 | < 1.30 | |
| Solubility Parameter δ | MPa1/2 | ||
| Molar Cohesive Energy Ecoh | J mol-1 | ||
| Glass Transition Temperature Tg | K | 342 - 382 | 363 |
| 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 | 340.38 | |
| Van-der-Waals Volume VvW | mL mol-1 | 185.11 | |
| Molar Volume Vm | mL mol-1 | 267.1 - 284.3 | 275.7 |
| Density ρ | g mL-1 | 1.20 - 1.27 | 1.23 |
| Solubility Parameter δ | MPa1/2 | 23.2 - 24.1 | 23.5 |
| Molar Cohesive Energy Ecoh | J mol-1 | 149700 - 154600 | 152400 |
| Glass Transition Temperature Tg | K | 323, 369 | 369 |
| Molar Heat Capacity Cp | J (mol K)-1 | 575 | |
| Entanglement Molecular Weight Me | g mol-1 | 2200 | |
| Index of Refraction n | none | 1.57 |