Poly(butylene isophthalate)

Poly(butylene isophthalate)

Poly(tetramethylene isophthalate)

NAMES AND IDENTIFIERS OF POLYMER

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+}

IDENTIFIERS OF MONOMER(S)

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

Thermo-Physical Properties: Experimental / Literature Data

PROPERTY	UNIT	VALUE / RANGE	PREFERRED
Molar Volume V_m	mL mol^-1	174
Density ρ	g mL^-1	1.27
Solubility Parameter δ	MPa^1/2
Molar Cohesive Energy E_coh	J mol^-1
Glass Transition Temperature T_g	K	290 - 307	297
Molar Heat Capacity C_p	J (mol K)^-1
Entanglement Molecular Weight M_e	g mol^-1
Index of Refraction n	none

Thermo-Physical Properties: Calculated Data

PROPERTY	UNIT	VALUE / RANGE	PREFERRED
Molecular Weight of Repeat unit	g mol^-1	220.22
Van-der-Waals Volume V_vW	mL mol^-1	116.9
Molar Volume V_m	mL mol^-1	168 - 178	174
Density ρ	g mL^-1	1.24 - 1.31	1.27
Solubility Parameter δ	MPa^1/2	20.8 - 21.2	21.0
Molar Cohesive Energy E_coh	J mol^-1	72300 - 79900	76400
Glass Transition Temperature T_g	K	308 - 316	312
Molar Heat Capacity C_p	J (mol K)^-1	265 - 283	274
Entanglement Molecular Weight M_e	g mol^-1	2000 - 4000	3000
Index of Refraction n	none	1.54 - 1.56	1.55

Last updated: December 13, 2015

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