Chemical Properties of Linolenic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester (Z,Z,Z)- (CAS 55268-58-1)

InChI

InChI=1S/C21H36O4/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/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-

InChI Key

GGJRAQULURVTAJ-PDBXOOCHSA-N

Formula

C21H36O4

SMILES

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

Molecular Weight¹

352.51

CAS

55268-58-1

Other Names

• 2-Monolinolenin

• 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°	-143.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-679.65	kJ/mol	Joback Calculated Property
ΔfusH°	58.19	kJ/mol	Joback Calculated Property
ΔvapH°	104.34	kJ/mol	Joback Calculated Property
log10WS	-5.68		Crippen Calculated Property
logPoct/wat	4.472		Crippen Calculated Property
McVol	313.030	ml/mol	McGowan Calculated Property
Pc	1239.83	kPa	Joback Calculated Property
Inp	[2161.00; 2161.00]
Inp	2161.00		NIST
Inp	2161.00		NIST
Tboil	952.57	K	Joback Calculated Property
Tc	1170.58	K	Joback Calculated Property
Tfus	489.99	K	Joback Calculated Property
Vc	1.208	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1034.76; 1124.75]	J/mol×K	[952.57; 1170.58]
Cp,gas	1034.76	J/mol×K	952.57	Joback Calculated Property
Cp,gas	1051.46	J/mol×K	988.90	Joback Calculated Property
Cp,gas	1067.35	J/mol×K	1025.24	Joback Calculated Property
Cp,gas	1082.53	J/mol×K	1061.57	Joback Calculated Property
Cp,gas	1097.09	J/mol×K	1097.91	Joback Calculated Property
Cp,gas	1111.13	J/mol×K	1134.24	Joback Calculated Property
Cp,gas	1124.75	J/mol×K	1170.58	Joback Calculated Property
η	[0.0000007; 0.0002781]	Pa×s	[489.99; 952.57]
η	0.0002781	Pa×s	489.99	Joback Calculated Property
η	0.0000517	Pa×s	567.09	Joback Calculated Property
η	0.0000144	Pa×s	644.18	Joback Calculated Property
η	0.0000053	Pa×s	721.28	Joback Calculated Property
η	0.0000023	Pa×s	798.38	Joback Calculated Property
η	0.0000012	Pa×s	875.47	Joback Calculated Property
η	0.0000007	Pa×s	952.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Linolenic acid, 2-hydroxy-1-(hydroxymethyl)ethyl ester (Z,Z,Z)-.

Sources

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

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