Poly[di(n-butyl)itaconate]

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

CAS #	2155-60-4
COMMON NAMES	Di(n-butyl) itaconate
SMILES	CCCCOC(=O)CC(=C)C(=O)OCCCC
Std. InChI	1S/C13H22O4/c1-4-6-8-16-12(14)10-11(3)13(15)17-9-7-5-2/h3-10H2,1-2H3
Std. InChIKey	OGVXYCDTRMDYOG-UHFFFAOYSA-N
STRUCTURE

PROPERTY	UNIT	VALUE / RANGE	PREFERRED
Molar Volume V_m	mL mol^-1
Density ρ	g mL^-1
Solubility Parameter δ	MPa^1/2	17.8 - 18.5	18.2
Molar Cohesive Energy E_coh	J mol^-1	69400 - 75000	72300
Glass Transition Temperature T_g	K	285
Molar Heat Capacity C_p	J (mol K)^-1
Entanglement Molecular Weight M_e	g mol^-1
Index of Refraction n	none

PROPERTY	UNIT	VALUE / RANGE	PREFERRED
Molecular Weight of Repeat unit	g mol^-1	242.32
Van-der-Waals Volume V_vW	mL mol^-1	143.24
Molar Volume V_m	mL mol^-1	216.6 - 221.9	219.0
Density ρ	g mL^-1	1.09 - 1.12	1.11
Solubility Parameter δ	MPa^1/2	18.3 - 19.0	18.7
Molar Cohesive Energy E_coh	J mol^-1	72200 - 79200	76200
Glass Transition Temperature T_g	K	286 - 297	286
Molar Heat Capacity C_p	J (mol K)^-1	363 - 380 447 - 468	370 (s) 459 (l,r)
Entanglement Molecular Weight M_e	g mol^-1	67000 - 76000	71000
Index of Refraction n	none	1.47 - 1.49	1.49