CAS 141-82-2 Malonate - Materials / Alfa Chemistry

NAVIGATION

Malonate

PRICE INQUIRY

Catalog Number

ACM141822-1

CAS Number

141-82-2

Product Name

Malonate

Structure

Category

Electronic Materials

Description

Malonic acid appears as white crystals or crystalline powder. Sublimes in vacuum. (NTP, 1992);PelletsLargeCrystals;Solid;WHITE CRYSTALS.

IUPAC Name

propanedioic acid

Molecular Weight

104.06g/mol

Molecular Formula

C3H4O4;COOHCH2COOH;C3H4O4;C3H4O4

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

Boiling Point

284 °F at 760 mm Hg (decomposes) (NTP, 1992);Decomposes above 140 °C

Melting Point

276.1 °F (NTP, 1992);135-137 °C;135°C

Density

1.63 (NTP, 1992);1.6 g/cm³

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

Color/Form

White crystals;Crystalline powder;Colorless hygroscopic solid which sublimes in vacuum

Complexity

83.1

Covalently-Bonded Unit Count

EC Number

205-503-0;434-560-6

Exact Mass

104.010959g/mol

Formal Charge

Heat of Vaporization

92 kJ/mol

Heavy Atom Count

ICSC Number

1085

Log P

-0.81 (LogP);log Kow = -0.81;-0.81;-0.91/-0.18 (calculated)

MeSH Entry Terms

dithallium malonate;malonate;malonic acid;malonic acid, 1,3-(14)C2-labeled;malonic acid, 2-(14)C-labeled;malonic acid, diammonium salt;malonic acid, dipotassium salt;malonic acid, disodium salt;malonic acid, disodium salt, 1-(14)C-labeled;malonic acid, dithallium salt;malonic acid, monocalcium salt;malonic acid, monosodium salt;malonic acid, potassium salt;malonic acid, sodium salt;monosodium malonate;thallium malonate;thallous malonate

Monoisotopic Mass

104.010959g/mol

NSC Number

8124

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)

Rotatable Bond Count

RTECS Number

OO0175000

Stability

Stable under recommended storage conditions.

UNII

9KX7ZMG0MK

Vapor Pressure

0.00 mmHg;2.7X10-6 mm Hg at 23 °C

XLogP3

-0.8

MSDS