IUPAC Name: bis(2-Hydroxyethyl) benzene-1,2-dicarboxylate
Synonyms of bis(2-Hydroxyethyl) phthalate (CAS NO.84-73-1): Bis(beta-hydroxyethyl) phthalate ; 1,2-Benzenedicarboxylic acid, 1,2-bis(2-hydroxyethyl) ester ; 1,2-Benzenedicarboxylic acid, bis(2-hydroxyethyl) ester
CAS NO: 84-73-1
Molecular Formula: C12H14O6
Molecular Weight: 254.23596
Molecular Structure:
EINECS: 201-556-9
H bond acceptors: 6
H bond donors: 2
Freely Rotating Bonds: 10
Polar Surface Area: 71.06 Å2
Index of Refraction: 1.556
Molar Refractivity: 62.13 cm3
Molar Volume: 193.2 cm3
Surface Tension: 56.5 dyne/cm
Density: 1.315 g/cm3
Flash Point: 159.2 °C
Enthalpy of Vaporization: 70.69 kJ/mol
Boiling Point: 417.2 °C at 760 mmHg
Vapour Pressure: 1.05E-07 mmHg at 25°C
SMILES: O=C(OCCO)c1ccccc1C(=O)OCCO
InChI: InChI=1/C12H14O6/c13-5-7-17-11(15)9-3-1-2-4-10(9)12(16)18-8-6-14/h1-4,13-14H,5-8H2
InChIKey: CAKVXHUYTFYBPK-UHFFFAOYAG
Std. InChI: InChI=1S/C12H14O6/c13-5-7-17-11(15)9-3-1-2-4-10(9)12(16)18-8-6-14/h1-4,13-14H,5-8H2
Std. InChIKey: CAKVXHUYTFYBPK-UHFFFAOYSA-N
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