Chemical Properties of 9,12-Octadecadienoic acid (Z,Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl ester (CAS 3443-82-1)

InChI

InChI=1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9-

InChI Key

IEPGNWMPIFDNSD-HZJYTTRNSA-N

Formula

C21H38O4

SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OC(CO)CO

Molecular Weight¹

354.52

CAS

3443-82-1

Other Names

• Linolein, 2-mono-
• «beta»-Monolinolein
• (9Z,12Z)-1,3-Dihydroxypropan-2-yl octadeca-9,12-dienoate

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	1.1611		Relay (1.0) Calculated Property
ΔfG°	-223.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-952.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.99	kJ/mol	Joback Calculated Property
ΔvapH°	136.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.07	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	4.696		Crippen Calculated Property
McVol	317.330	ml/mol	McGowan Calculated Property
Pc	1195.65	kPa	Joback Calculated Property
Inp	[2706.90; 2706.90]
Inp	2706.90		NIST
Inp	2706.90		NIST
Tboil	661.87	K	Relay (1.0) Calculated Property
Tc	852.01	K	Relay (1.0) Calculated Property
Tfus	337.52	K	Relay (1.0) Calculated Property
Vc	1.128	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1062.94; 1153.26]	J/mol×K	[948.41; 1167.58]
Cp,gas	1062.94	J/mol×K	948.41	Joback Calculated Property
Cp,gas	1080.16	J/mol×K	984.94	Joback Calculated Property
Cp,gas	1096.40	J/mol×K	1021.47	Joback Calculated Property
Cp,gas	1111.75	J/mol×K	1057.99	Joback Calculated Property
Cp,gas	1126.28	J/mol×K	1094.52	Joback Calculated Property
Cp,gas	1140.09	J/mol×K	1131.05	Joback Calculated Property
Cp,gas	1153.26	J/mol×K	1167.58	Joback Calculated Property
η	[0.0000008; 0.0002816]	Pa×s	[495.07; 948.41]
η	0.0002816	Pa×s	495.07	Joback Calculated Property
η	0.0000553	Pa×s	570.63	Joback Calculated Property
η	0.0000159	Pa×s	646.18	Joback Calculated Property
η	0.0000059	Pa×s	721.74	Joback Calculated Property
η	0.0000027	Pa×s	797.30	Joback Calculated Property
η	0.0000014	Pa×s	872.85	Joback Calculated Property
η	0.0000008	Pa×s	948.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9,12-Octadecadienoic acid (Z,Z)-, 2-hydroxy-1-(hydroxymethyl)ethyl 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.