CALCIUM STEARATE

ChemSpider ID: 14587
Molecular Formula: C₃₆H₇₀CaO₄
Average mass: 607.016602 Da
Monoisotopic mass: 606.48999 Da
Systematic name

Calcium dioctadecanoate
SMILES and InChIs

SMILES:

[Ca+2].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC Copied

Std. InChI:

InChI=1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2 Copied

Std. InChIKey:

CJZGTCYPCWQAJB-UHFFFAOYSA-L Copied
Cite this record
CSID:14587, http://www.chemspider.com/Chemical-Structure.14587.html (accessed 09:51, May 19, 2013) Copied

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

OCTADECANOIC ACID, CALCIUM SALT

Calcium dioctadecanoate [ACD/IUPAC Name]

CALCIUM STEARATE [JAN]

octadecanoic acid, calcium salt (2:1)

1592-23-0 [RN]

169526-51-6 [RN]

216-472-8 [EINECS]

266-106-6 [EINECS]

37325-26-1 [RN]

66071-81-6 [RN]

More...

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

26411_RIEDEL [DBID]

AI3-01335 [DBID]

D03310 [DBID]

HSDB 905 [DBID]

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Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  179-180 deg C (179-180 °C) Alfa Aesar
- Experimental Solubility:
  
  Insoluble in alcohol and ether. Soluble in hot pyridine Alfa Aesar
Miscellaneous
- Safety:
  
  WARNING: Irritates lungs, eyes, skin Alfa Aesar

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

ACD/LogP:	8.216	# of Rule of 5 Violations:	1
ACD/LogD (pH 5.5):	7.42	ACD/LogD (pH 7.4):	5.63
ACD/BCF (pH 5.5):	165268.90	ACD/BCF (pH 7.4):	2651.33
ACD/KOC (pH 5.5):	112327.90	ACD/KOC (pH 7.4):	1802.02
#H bond acceptors:	2	#H bond donors:	1
#Freely Rotating Bonds:	16	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:	162.4 °C	Enthalpy of Vaporization:	63.84 kJ/mol
Boiling Point:	359.4 °C at 760 mmHg	Vapour Pressure:	8.58E-06 mmHg at 25°C

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NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

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CALCIUM STEARATE

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CALCIUM STEARATE

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