Category
Micro/NanoElectronics
Description
The common technique for producing malonic acid is from chloroacetic acid.Malonic acid undergoes thermal decarboxylation at temperatures of 135-137oC.2
Synonyms
Propane-1,3-dioic acid
IUPAC Name
Propanedioic acid
Canonical SMILES
C(C(=O)O)C(=O)O
InChI
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
InChI Key
OFOBLEOULBTSOW-UHFFFAOYSA-N
Melting Point
132-135 °C(lit.)
Density
1.619 g/cm³ at 25 °C
Solubility
greater than or equal to 100 mg/mL at 72° F (NTP, 1992);7.33 M;In water, 6.23X10+5 mg/L at 25 °C;In water, 7.66X10+5 mg/L at 20 °C (pH 1-10), EU Guideline Method A.6 (flask method);One gram dissolves in: 0.65 mL water, about 2 mL alcohol, 1.1 mL methanol, 3 mL propyl alcohol, 13 mL ether, 7 mL pyridine;763.0 mg/mL;Solubility in water, g/100ml at 20 °C: 7.3
Storage
Sealed in dry, room temperature
Assay
≥99.95% trace metals basis
Color/Form
White crystals;Crystalline powder;Colorless hygroscopic solid which sublimes in vacuum
Covalently-Bonded Unit Count
1
Decomposition
Hazardous decomposition products formed under fire conditions. - Carbon oxides.;When heated to decomposition it emits acrid smoke and irritating fumes.;135 °C
Defined Atom Stereocenter Count
0
Heat of Vaporization
92 kJ/mol
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
2
LogP
-0.81 (LogP);log Kow = -0.81;-0.81;-0.91/-0.18 (calculated)
Monoisotopic Mass
104.01095860
Other Experimental
Density: 1.619 g/cu cm at 10 °C;Enthalpy of Sublimation: 72.7 kJ/mol at 306 deg K, 108.0 kJ/mol at 348 deg K;Henry's Law constant = 4.8X10-13 atm-cu m/mole at 23 °C (estimated from vapor pressure and water solubility);Hydroxyl radical reaction rate constant = 1.6X10-12 cu-cm/molc sec at 25 °C (est)
Stability
Stable under recommended storage conditions.
Topological Polar Surface Area
74.6 Ų
Vapor Pressure
0.00 mmHg;2.7X10-6 mm Hg at 23 °C
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