Chemical Properties of Octadecanoic acid, 2,3-dihydroxypropyl ester (CAS 123-94-4)

InChI

InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3

InChI Key

VBICKXHEKHSIBG-UHFFFAOYSA-N

Formula

C21H42O4

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO

Molecular Weight¹

358.56

CAS

123-94-4

Other Names

• Stearin, 1-mono-
• «alpha»-Monostearin
• Aldo MSD
• Aldo MSLG
• Aldo 33
• Aldo 75
• Arlacel 165
• Emerest 2407
• Glycerin 1-monostearate
• Glycerin 1-stearate
• Glycerol «alpha»-monostearate
• Glycerol 1-monostearate
• Glycerol 1-stearate
• Glyceryl 1-monostearate
• Sandin EU
• Stearic acid «alpha»-monoglyceride
• Stearic acid 1-monoglyceride
• Tegin 55G
• 1-Glyceryl stearate
• 1-Monostearin
• 1-Monostearoylglycerol
• 1,2,3-Propanetriol 1-octadecanoyl ester
• Glycerol «alpha»-sterate
• Monostearin (l)
• 3-Stearoyloxy-1,2-propanediol
• NSC 3875
• Glyceryl 1-octadecanoate
• 2,3-Dihydroxypropyl stearate

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1118.99; 1210.98]	J/mol×K	[940.09; 1162.77]
Cp,gas	1118.99	J/mol×K	940.09	Joback Calculated Property
Cp,gas	1137.46	J/mol×K	977.20	Joback Calculated Property
Cp,gas	1154.59	J/mol×K	1014.32	Joback Calculated Property
Cp,gas	1170.45	J/mol×K	1051.43	Joback Calculated Property
Cp,gas	1185.10	J/mol×K	1088.55	Joback Calculated Property
Cp,gas	1198.59	J/mol×K	1125.66	Joback Calculated Property
Cp,gas	1210.98	J/mol×K	1162.77	Joback Calculated Property
Cp,solid	[610.40; 866.00]	J/mol×K	[298.00; 298.20]
Cp,solid	610.40	J/mol×K	298.00	NIST
Cp,solid	866.00	J/mol×K	298.20	NIST
η	[0.0000011; 0.0002903]	Pa×s	[505.23; 940.09]
η	0.0002903	Pa×s	505.23	Joback Calculated Property
η	0.0000633	Pa×s	577.71	Joback Calculated Property
η	0.0000194	Pa×s	650.18	Joback Calculated Property
η	0.0000075	Pa×s	722.66	Joback Calculated Property
η	0.0000035	Pa×s	795.14	Joback Calculated Property
η	0.0000018	Pa×s	867.61	Joback Calculated Property
η	0.0000011	Pa×s	940.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octadecanoic acid, 2,3-dihydroxypropyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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