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Search term: LDJNSLOKTFFLSL-SVTWZDQOCB (Found by InChIKey (skeleton match))

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lithium benzoate

ChemSpider ID: 10642
Molecular Formula: C₇H₅LiO₂
Monoisotopic mass: 128.044952 Da
Systematic name

Lithium benzoate
SMILES and InChIs

SMILES:

[Li+].[O-]C(=O)c1ccccc1 Copied

Std. InChI:

InChI=1S/C7H6O2.Li/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1 Copied

Std. InChIKey:

LDJNSLOKTFFLSL-UHFFFAOYSA-M Copied

Names and Identifiers

Names and Synonyms
Database ID(s)

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

benzoic acid, lithium salt (1:1)

lithium benzoate [ACD/IUPAC Name]

209-042-6 [EINECS]

553-54-8 [RN]

Benzoic acid lithium salt

BENZOIC ACID, LITHIUM SALT

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

201162_ALDRICH [DBID]

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Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

experimental physchem properties
- Melting Point: >300
- Solubility: Solubility in water is increased by sodium benzoate
miscellaneous
- Safety: WARNING: Irritates skin and eyes, harmful if swallowed

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	1.895	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.58	ACD/LogD (pH 7.4):	-0.98
ACD/BCF (pH 5.5):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	12.43	ACD/KOC (pH 7.4):	1.00
#H bond acceptors:	2	#H bond donors:	1
#Freely Rotating Bonds:	1	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:	111.4 °C	Enthalpy of Vaporization:	51.4 kJ/mol
Boiling Point:	249.3 °C at 760 mmHg	Vapour Pressure:	0.0122 mmHg at 25°C

Click to predict properties on the Chemicalize site

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