Chemical Properties of 9-Octadecenoic acid (Z)-, 2,3-dihydroxypropyl ester (CAS 111-03-5)

InChI

InChI=1S/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-

InChI Key

RZRNAYUHWVFMIP-KTKRTIGZSA-N

Formula

C21H40O4

SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCC(O)CO

Molecular Weight¹

356.54

CAS

111-03-5

Other Names

• Glyceryl Monooleate
• Olein, 1-mono-
• «alpha»-Monoolein
• Aldo HMO
• Aldo MO
• Glycerin 1-monooleate
• Glycerol «alpha»-cis-9-octadecenate
• Glycerol «alpha»-monooleate
• Glycerol 1-monooleate
• Monoolein
• 1-Glyceryl oleate
• 1-Monoolein
• 1-Monooleoylglycerol
• 1-Oleoylglycerol
• 1-Oleylglycerol
• dl-«alpha»-Monoolein
• 1-Monooleoyl-rac-glycerol
• Ablunol GMO
• Glycerol-1-oleate
• Glycerol oleate
• Glyceryl oleate
• Witconol 2421
• 9-Octadecenoic acid (9Z)-, 2,3-dihydroxypropyl ester
• 1-Mono(cis-9-octacenoyl)glycerol
• 2,3-Dihydroxypropyl oleate
• Danisco MO 90
• rac-1-Monoolein
• rac-1-Monooleoylglycerol
• 2,3-Dihydroxypropyl (9z)-9-octadecenoate

• C_p,gas : Ideal gas 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_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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-303.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-914.09	kJ/mol	Joback Calculated Property
ΔfusH°	57.79	kJ/mol	Joback Calculated Property
ΔvapH°	104.42	kJ/mol	Joback Calculated Property
log10WS	-5.97		Crippen Calculated Property
logPoct/wat	4.920		Crippen Calculated Property
McVol	321.630	ml/mol	McGowan Calculated Property
Pc	1153.78	kPa	Joback Calculated Property
Inp	[2714.00; 2714.00]
Inp	2714.00		NIST
Inp	2714.00		NIST
Tboil	944.25	K	Joback Calculated Property
Tc	1164.97	K	Joback Calculated Property
Tfus	500.15	K	Joback Calculated Property
Vc	1.248	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1091.02; 1182.01]	J/mol×K	[944.25; 1164.97]
Cp,gas	1091.02	J/mol×K	944.25	Joback Calculated Property
Cp,gas	1108.83	J/mol×K	981.04	Joback Calculated Property
Cp,gas	1125.49	J/mol×K	1017.82	Joback Calculated Property
Cp,gas	1141.06	J/mol×K	1054.61	Joback Calculated Property
Cp,gas	1155.62	J/mol×K	1091.40	Joback Calculated Property
Cp,gas	1169.25	J/mol×K	1128.19	Joback Calculated Property
Cp,gas	1182.01	J/mol×K	1164.97	Joback Calculated Property
η	[0.0000009; 0.0002857]	Pa×s	[500.15; 944.25]
η	0.0002857	Pa×s	500.15	Joback Calculated Property
η	0.0000592	Pa×s	574.17	Joback Calculated Property
η	0.0000176	Pa×s	648.18	Joback Calculated Property
η	0.0000067	Pa×s	722.20	Joback Calculated Property
η	0.0000030	Pa×s	796.22	Joback Calculated Property
η	0.0000016	Pa×s	870.23	Joback Calculated Property
η	0.0000009	Pa×s	944.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9-Octadecenoic acid (Z)-, 2,3-dihydroxypropyl ester.

Sources

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

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