Poly(Bisphenol A terephthalate)

Poly(Bisphenol A terephthalate)

Poly(Bisphenol A terephthalate)

NAMES AND IDENTIFIERS OF POLYMER

POLYMER CLASS	Polyesters
COMMON NAMES	Poly(Bisphenol A terephthalate)
STRUCTURE BASED NAME	Poly(oxyterephthaloyloxy-1,4-phenyleneisopropylidene-1,4-phenylene), Poly[oxyterephthaloyloxy-1,4-phenylene(dimethylmethylene)-1,4-phenylene
ACRONYMS
CAS #
CurlySMILES	C{-}(=O)c1ccc(cc1)C(=O)Oc1ccc(cc1)C(C)(C)c2ccc(cc2)O{n+}

IDENTIFIERS OF MONOMER(S)

CAS #	60088-54-2 + 80-05-7
COMMON NAMES	Terephthalic acid + Bisphenol A
SMILES	OC(=O)c1ccc(cc1)C(=O)O.Oc1ccc(cc1)C(C)(C)c2ccc(cc2)O
Std. InChI	1S/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12).InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
Std. InChIKey	KKEYFWRCBNTPAC-UHFFFAOYSA-N.IISBACLAFKSPIT-UHFFFAOYSA-N
STRUCTURE

Thermo-Physical Properties: Experimental / Literature Data

PROPERTY	UNIT	VALUE / RANGE	PREFERRED
Molar Volume V_m	mL mol^-1	296.2
Density ρ	g mL^-1	1.21
Solubility Parameter δ	MPa^1/2
Molar Cohesive Energy E_coh	J mol^-1
Glass Transition Temperature T_g	K	463 - 478	472
Molar Heat Capacity C_p	J (mol K)^-1
Entanglement Molecular Weight M_e	g mol^-1	1390 - 1400	1395
Index of Refraction n	none

Thermo-Physical Properties: Calculated Data

PROPERTY	UNIT	VALUE / RANGE	PREFERRED
Molecular Weight of Repeat unit	g mol^-1	358..4
Van-der-Waals Volume V_vW	mL mol^-1	197.7
Molar Volume V_m	mL mol^-1	282.1 - 301.4	294.4
Density ρ	g mL^-1	1.19 - 1.27	1.22
Solubility Parameter δ	MPa^1/2	20.1 - 21.0	20.5
Molar Cohesive Energy E_coh	J mol^-1	122400 - 125300	124100
Glass Transition Temperature T_g	K	446 - 489	462
Molar Heat Capacity C_p	J (mol K)^-1	396 - 424	407
Entanglement Molecular Weight M_e	g mol^-1	1330 - 1960	1600
Index of Refraction n	none	1.58 - 1.63	1.60

Last updated: September 17, 2015

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