Poly[di(n-hexyl) itaconate]

Poly[di(n-hexyl) itaconate]

Poly[di(n-propyl) itaconate]

NAMES AND IDENTIFIERS OF POLYMER

POLYMER CLASS	Polyitaconate
COMMON NAMES	Poly[di(n-hexyl) itaconate]
STRUCTURE BASED NAME	Poly[di(n-hexyl)-2-methylidene butandioate], Poly[di(n-hexyl)-2-methylenesuccinate]
ACRONYMS
CAS #
CurlySMILES	C{-}(C(=O)OCCCCCC)(CC(=O)OCCCCCC)C{n+}

IDENTIFIERS OF MONOMER(S)

CAS #	13401-98-4
COMMON NAMES	Di(n-hexyl) itaconate, Dihexyl 2-methylenesuccinate
SMILES	CCCCCCOC(=O)CC(=C)C(=O)OCCCCCC
Std. InChI	1S/C17H30O4/c1-4-6-8-10-12-20-16(18)14-15(3)17(19)21-13-11-9-7-5-2/h3-14H2,1-2H3
Std. InChIKey	MHAOABLQRSMPKK-UHFFFAOYSA-N
STRUCTURE

Thermo-Physical Properties: Experimental / Literature Data

PROPERTY	UNIT	VALUE / RANGE	PREFERRED
Molar Volume V_m	mL mol^-1
Density ρ	g mL^-1
Solubility Parameter δ	MPa^1/2	17 - 18	17.5
Molar Cohesive Energy E_coh	J mol^-1	84000 - 93000	87000
Glass Transition Temperature T_g	K	248 - 255	255 (263¹)
Molar Heat Capacity C_p	J (mol K)^-1	486 (s)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	298.4
Van-der-Waals Volume V_vW	mL mol^-1	184.4
Molar Volume V_m	mL mol^-1	281 - 288	284
Density ρ	g mL^-1	1.04 - 1.06	1.05
Solubility Parameter δ	MPa^1/2	17.8 - 18.7	18.2
Molar Cohesive Energy E_coh	J mol^-1	84000 - 93000	86500
Glass Transition Temperature T_g	K	240 -287	269
Molar Heat Capacity C_p	J (mol K)^-1	464 - 491.5 564.5 - 593	475 (s) 579.5 (l,r)
Entanglement Molecular Weight M_e	g mol^-1
Index of Refraction n	none

¹Extrapolated from experimental data

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