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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1044.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.37	kJ/mol	Joback Calculated Property
ΔvapH°	139.45	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.23		Relay (1.0) Calculated Property
logPoct/wat	4.920		Crippen Calculated Property
McVol	321.630	ml/mol	McGowan Calculated Property
Pc	1122.31	kPa	Joback Calculated Property
Inp	[2714.00; 2714.00]
Inp	2714.00		NIST
Inp	2714.00		NIST
Tboil	664.06	K	Relay (1.0) Calculated Property
Tc	853.68	K	Relay (1.0) Calculated Property
Tfus	334.40	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1083.44; 1172.35]	J/mol×K	[926.38; 1141.49]
Cp,gas	1083.44	J/mol×K	926.38	Joback Calculated Property
Cp,gas	1100.96	J/mol×K	962.23	Joback Calculated Property
Cp,gas	1117.30	J/mol×K	998.08	Joback Calculated Property
Cp,gas	1132.55	J/mol×K	1033.94	Joback Calculated Property
Cp,gas	1146.76	J/mol×K	1069.79	Joback Calculated Property
Cp,gas	1160.00	J/mol×K	1105.64	Joback Calculated Property
Cp,gas	1172.35	J/mol×K	1141.49	Joback Calculated Property
η	[0.0000008; 0.0005156]	Pa×s	[470.32; 926.38]
η	0.0005156	Pa×s	470.32	Joback Calculated Property
η	0.0000841	Pa×s	546.33	Joback Calculated Property
η	0.0000214	Pa×s	622.34	Joback Calculated Property
η	0.0000073	Pa×s	698.35	Joback Calculated Property
η	0.0000031	Pa×s	774.36	Joback Calculated Property
η	0.0000015	Pa×s	850.37	Joback Calculated Property
η	0.0000008	Pa×s	926.38	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.