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1,4,5,8-Naphthalenetetracarboxylicacid, 1,4,5,8-tetramethyl ester (31996-10-8)

Identification
Name:1,4,5,8-Naphthalenetetracarboxylicacid, 1,4,5,8-tetramethyl ester
Synonyms:1,4,5,8-Naphthalenetetracarboxylicacid, tetramethyl ester (6CI,7CI,8CI,9CI);Tetramethyl 1,4,5,8-naphthalenetetracarboxylate;
CAS:31996-10-8
Molecular Formula: C18H16O8
Molecular Weight: 360.31
InChI: InChI=1S/C18H16O8/c1-23-15(19)9-5-6-11(17(21)25-3)14-12(18(22)26-4)8-7-10(13(9)14)16(20)24-2/h5-8H,1-4H3
Molecular Structure: (C18H16O8) 1,4,5,8-Naphthalenetetracarboxylicacid, tetramethyl ester (6CI,7CI,8CI,9CI);Tetramethyl 1,4,5,8-naph...
Properties
Melting Point: 200-203 ºC
Density:1.309
Refractive index:1.577
Specification:

The Tetramethyl 1,4,5,8-naphthalenetetracarboxylate with its cas register number is 31996-10-8. It also can be called as 1,4,5,8-Naphthalenetetracarboxylicacid, 1,4,5,8-tetramethyl ester and the Systematic name about this chemical is tetramethyl naphthalene-1,4,5,8-tetracarboxylate.

Physical properties about Tetramethyl 1,4,5,8-naphthalenetetracarboxylate are: (1)ACD/LogP: 3.96; (2)ACD/LogD (pH 5.5): 3.96; (3)ACD/LogD (pH 7.4): 3.96; (4)ACD/BCF (pH 5.5): 601.63; (5)ACD/BCF (pH 7.4): 601.63; (6)ACD/KOC (pH 5.5): 3396.61; (7)ACD/KOC (pH 7.4): 3396.61; (8)#H bond acceptors: 8; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 105.2Å2; (11)Index of Refraction: 1.577; (12)Molar Refractivity: 91.18 cm3; (13)Molar Volume: 275.1 cm3; (14)Polarizability: 36.14x10-24cm3; (15)Surface Tension: 49.7 dyne/cm; (16)Enthalpy of Vaporization: 77.93 kJ/mol; (17)Vapour Pressure: 1.78E-10 mmHg at 25°C .

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(c2c(ccc(C(=O)OC)c12)C(=O)OC)C(=O)OC
(2)InChI: InChI=1/C18H16O8/c1-23-15(19)9-5-6-11(17(21)25-3)14-12(18(22)26-4)8-7-10(13(9)14)16(20)24-2/h5-8H,1-4H3
(3)InChIKey: QGAXWPQVFUUSGN-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C18H16O8/c1-23-15(19)9-5-6-11(17(21)25-3)14-12(18(22)26-4)8-7-10(13(9)14)16(20)24-2/h5-8H,1-4H3
(5)Std. InChIKey: QGAXWPQVFUUSGN-UHFFFAOYSA-N

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