Chemical Properties of (9Z,12Z)-1-Hydroxy-3-methoxypropan-2-yl octadeca-9,12-dienoate

InChI

InChI=1S/C22H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)26-21(19-23)20-25-2/h7-8,10-11,21,23H,3-6,9,12-20H2,1-2H3/b8-7-,11-10-

InChI Key

NZORTWJTPAPCMO-NQLNTKRDSA-N

Formula

C22H40O4

SMILES

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

Molecular Weight¹

368.55

• 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	1.0689		Relay (1.0) Calculated Property
ΔfG°	-183.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-955.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.68	kJ/mol	Joback Calculated Property
ΔvapH°	127.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.90	eV	Relay (1.0) Calculated Property
log10WS	-5.19		Relay (1.0) Calculated Property
logPoct/wat	5.350		Crippen Calculated Property
McVol	331.420	ml/mol	McGowan Calculated Property
Pc	1042.60	kPa	Joback Calculated Property
Inp	[2654.60; 2654.60]
Inp	2654.60		NIST
Inp	2654.60		NIST
Tboil	650.16	K	Relay (1.0) Calculated Property
Tc	833.56	K	Relay (1.0) Calculated Property
Tfus	313.88	K	Relay (1.0) Calculated Property
Vc	1.180	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1088.70; 1182.14]	J/mol×K	[901.53; 1104.50]
Cp,gas	1088.70	J/mol×K	901.53	Joback Calculated Property
Cp,gas	1106.78	J/mol×K	935.36	Joback Calculated Property
Cp,gas	1123.79	J/mol×K	969.19	Joback Calculated Property
Cp,gas	1139.78	J/mol×K	1003.02	Joback Calculated Property
Cp,gas	1154.80	J/mol×K	1036.85	Joback Calculated Property
Cp,gas	1168.90	J/mol×K	1070.68	Joback Calculated Property
Cp,gas	1182.14	J/mol×K	1104.50	Joback Calculated Property
η	[0.0000041; 0.0004619]	Pa×s	[467.75; 901.53]
η	0.0004619	Pa×s	467.75	Joback Calculated Property
η	0.0001245	Pa×s	540.05	Joback Calculated Property
η	0.0000457	Pa×s	612.34	Joback Calculated Property
η	0.0000207	Pa×s	684.64	Joback Calculated Property
η	0.0000109	Pa×s	756.94	Joback Calculated Property
η	0.0000065	Pa×s	829.23	Joback Calculated Property
η	0.0000041	Pa×s	901.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to (9Z,12Z)-1-Hydroxy-3-methoxypropan-2-yl octadeca-9,12-dienoate.

Sources

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

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