Polyhydroxybutyrate

Polyhydroxybutyrate

Polyhydroxybutyrate

NAMES AND IDENTIFIERS OF POLYMER

POLYMER CLASS	Polyesters
COMMON NAMES	Poly(3-hydroxybutyrate), Poly(3-hydroxybutyric acid), Poly(beta-hydroxybutyrate)
STRUCTURE BASED NAME	Poly(3-hydroxybutanoic acid)
ACRONYMS	P3HB, PHB
CAS #	26063-00-3
CurlySMILES	C{-}(C)CC(=O)O{n+}

IDENTIFIERS OF MONOMER(S)

CAS #	3068-88-0
COMMON NAMES	β-Butyrolactone
SMILES	CC1CC(=O)O1
Std. InChI	1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3
Std. InChIKey	GSCLMSFRWBPUSK-UHFFFAOYSA-N
STRUCTURE

Thermo-Physical Properties: Experimental / Literature Data

PROPERTY	UNIT	VALUE / RANGE	PREFERRED
Molar Volume V_m	mL mol^-1	68.3 - 73.1	70.7
Density ρ	g mL^-1	1.18 - 1.26	1.22
Solubility Parameter δ	MPa^1/2	19.2
Molar Cohesive Energy E_coh	J mol^-1
Glass Transition Temperature T_g	K	268 - 288	276
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	86.09
Van-der-Waals Volume V_vW	mL mol^-1	45.92
Molar Volume V_m	mL mol^-1	68.1 - 71.4	70.0
Density ρ	g mL^-1	1.21 - 1.26	1.23
Solubility Parameter δ	MPa^1/2	19.2 - 20.1	19.6
Molar Cohesive Energy E_coh	J mol^-1	25100 - 28500	26800
Glass Transition Temperature T_g	K	272 - 286	279
Molar Heat Capacity C_p	J (mol K)^-1	141 - 161 113 - 125	155 (l,r) 118 (s)
Entanglement Molecular Weight M_e	g mol^-1	2500 - 3600	2900
Index of Refraction n	none	1.46 - 1.49	1.48

Last updated: July 29, 2016

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