InChI=1/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2/q;+1;;;/p-1

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Inherent Properties, Identifiers and References

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ChemSpider ID:	21110
Empirical Formula:	C₂H₉NaO₅
Molecular Weight:	136.0796
Nominal Mass:	136 Da
Average Mass:	136.0796 Da
Monoisotopic Mass:	136.034768 Da

Systematic Name:

sodium acetate trihydrate

SMILES:

[Na+].[O-]C(=O)C.O.O.O

InChI:

InChI=1/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2/q;+1;;;/p-1

InChIKey:

AYRVGWHSXIMRAB-REWHXWOFAP

Original Reference(s)

Data Source	External ID(s)
Antony_Williams	N/A
Molecule of the Day	Sodium Acetate Trihydrate (Deep ionic eutectic or supersaturated solution?)
Oxford University Chemical Safety Data	N/A, N/A
PubChem	22507

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Supplemental Information

Links & References

Sodium Acetate Trihydrate (Deep ionic eutectic or supersaturated solution?)

User Data

experimental physchem properties

Melting Point: 58 C

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Boiling Point: loses 3 water molecules at ca. 123 C

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

miscellaneous

Appearance: white to colourless crystals or powder

Visual appearance of the given substance.

Stability: Stable. Incompatible with strong oxidizing agents, halogens.

Chemical stability occurs when a substance is in a (dynamic) chemical equilibrium with its environment. See also: Chemical Stability

Toxicity: ORL-RAT LD50 3530 mg kg-1

Toxicity is the degree to which something is able to produce illness or damage to an exposed organism. See also: Toxicity and list of used abbreviations.

Safety: Safety glasses.

See Chemical Safety

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

204-823-8[EINECS]

Acetic acid, sodium salt, trihydrate

127-09-3[RN]

6131-90-4[RN]

Acetic Acid Sodium Salt Trihydrate

acetic acid, sodium salt, hydrate (1:1:3)

Natrium acetate-3-wasser

Plasmafusin

SODIUM ACETATE TRIHYDRATE

Thomaegelin

Tutofusin

Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

D01779

Predicted Properties

LogP:	ACD/LogP: -0.29	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-1.07	ACD/LogD (pH 7.4):	-2.86
ACD/BCF (pH 5.5):	1	ACD/BCF (pH 7.4):	1
ACD/KOC (pH 5.5):	2.73	ACD/KOC (pH 7.4):	1
#H bond acceptors:	2	#H bond donors:	1
#Freely Rotating Bonds:	0	Polar Surface Area:	37.3 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	40 °C	Enthalpy of Vaporization:	23.7 kJ/mol
Boiling Point:	117.1 °C at 760 mmHg	Vapour Pressure:	13.9 mmHg at 25°C