Product Name
Terephthaldicarboxaldehyde
IUPAC Name
terephthalaldehyde
Molecular Weight
134.13g/mol
Canonical SMILES
C1=CC(=CC=C1C=O)C=O
InChI
InChI=1S/C8H6O2/c9-5-7-1-2-8(6-10)4-3-7/h1-6H
InChI Key
KUCOHFSKRZZVRO-UHFFFAOYSA-N
Boiling Point
246.0 °C;246 °C
Melting Point
117.0 °C;117 °C
Flash Point
76 °C (169 °F) - closed cup
Solubility
0.00 M;In water, 200 mg/L at 25 °C;Insoluble in water;Very soluble in ethanol; soluble in ethyl ether, chloroform, alkalies
Color/Form
Needles from water
Covalently-Bonded Unit Count
1
Exact Mass
134.036779g/mol
Log P
log Kow = 1.43 (est)
Monoisotopic Mass
134.036779g/mol
Other Experimental
Henry's Law constant = 3.35X10-8 atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 3.4X10-11 cu cm/molec-sec at 25 °C (est)
Stability
Stable under recommended storage conditions.
Vapor Pressure
4.02X10-3 mm Hg at 25 °C (est)