POLYMER CLASS | Polyesters |
COMMON NAMES | Poly(tetramethylene isophthalate), Poly(1,4-butylene isophthalate) |
STRUCTURE BASED NAME | Poly(oxybutane-1,4-diyloxyisophthaloyl), Poly(oxytetramethyleneoxyisophthaloyl) |
ACRONYMS | |
CAS # | |
CurlySMILES | O{-}C(=O)c1cc(ccc1)C(=O)OCCCC{n+} |
CAS # | 10027-33-5.110-63-4 |
COMMON NAMES | Isophthalic acid + 1,4-Butanediol |
SMILES | OC(=O)c1cccc(c1)C(=O)O.OCCCCO |
Std. InChI | InChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12).InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2 |
Std. InChIKey | QQVIHTHCMHWDBS-UHFFFAOYSA-N.WERYXYBDKMZEQL-UHFFFAOYSA-N |
STRUCTURE |
![]() |
PROPERTY | UNIT | VALUE / RANGE | PREFERRED |
Molar Volume Vm | mL mol-1 | 174 | |
Density ρ | g mL-1 | 1.27 | |
Solubility Parameter δ | MPa1/2 | ||
Molar Cohesive Energy Ecoh | J mol-1 | ||
Glass Transition Temperature Tg | K | 290 - 307 | 297 |
Molar Heat Capacity Cp | J (mol K)-1 | ||
Entanglement Molecular Weight Me | g mol-1 | ||
Index of Refraction n | none |
PROPERTY | UNIT | VALUE / RANGE | PREFERRED |
Molecular Weight of Repeat unit | g mol-1 | 220.22 | |
Van-der-Waals Volume VvW | mL mol-1 | 116.9 | |
Molar Volume Vm | mL mol-1 | 168 - 178 | 174 |
Density ρ | g mL-1 | 1.24 - 1.31 | 1.27 |
Solubility Parameter δ | MPa1/2 | 20.8 - 21.2 | 21.0 |
Molar Cohesive Energy Ecoh | J mol-1 | 72300 - 79900 | 76400 |
Glass Transition Temperature Tg | K | 308 - 316 | 312 |
Molar Heat Capacity Cp | J (mol K)-1 | 265 - 283 | 274 |
Entanglement Molecular Weight Me | g mol-1 | 2000 - 4000 | 3000 |
Index of Refraction n | none | 1.54 - 1.56 | 1.55 |
Last updated: December 13, 2015