Chemical Properties of (9Z,12Z,15Z)-2-Hydroxy-3-methoxypropyl octadeca-9,12,15-trienoate

InChI

InChI=1S/C22H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)26-20-21(23)19-25-2/h4-5,7-8,10-11,21,23H,3,6,9,12-20H2,1-2H3/b5-4-,8-7-,11-10-

InChI Key

SVIBSCITSCGOHB-YSTUJMKBSA-N

Formula

C22H38O4

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COC

Molecular Weight¹

366.53

• 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	0.9805		Relay (1.0) Calculated Property
ΔfG°	-103.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-918.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.88	kJ/mol	Joback Calculated Property
ΔvapH°	123.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-4.62		Relay (1.0) Calculated Property
logPoct/wat	5.126		Crippen Calculated Property
McVol	327.120	ml/mol	McGowan Calculated Property
Pc	1078.51	kPa	Joback Calculated Property
Inp	[2636.30; 2636.30]
Inp	2636.30		NIST
Inp	2636.30		NIST
Tboil	648.51	K	Relay (1.0) Calculated Property
Tc	827.46	K	Relay (1.0) Calculated Property
Tfus	310.01	K	Relay (1.0) Calculated Property
Vc	1.140	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1061.39; 1153.43]	J/mol×K	[905.69; 1109.01]
Cp,gas	1061.39	J/mol×K	905.69	Joback Calculated Property
Cp,gas	1078.91	J/mol×K	939.58	Joback Calculated Property
Cp,gas	1095.47	J/mol×K	973.46	Joback Calculated Property
Cp,gas	1111.14	J/mol×K	1007.35	Joback Calculated Property
Cp,gas	1125.98	J/mol×K	1041.24	Joback Calculated Property
Cp,gas	1140.05	J/mol×K	1075.13	Joback Calculated Property
Cp,gas	1153.43	J/mol×K	1109.01	Joback Calculated Property
η	[0.0000036; 0.0004459]	Pa×s	[462.67; 905.69]
η	0.0004459	Pa×s	462.67	Joback Calculated Property
η	0.0001149	Pa×s	536.51	Joback Calculated Property
η	0.0000411	Pa×s	610.34	Joback Calculated Property
η	0.0000184	Pa×s	684.18	Joback Calculated Property
η	0.0000096	Pa×s	758.02	Joback Calculated Property
η	0.0000056	Pa×s	831.85	Joback Calculated Property
η	0.0000036	Pa×s	905.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to (9Z,12Z,15Z)-2-Hydroxy-3-methoxypropyl octadeca-9,12,15-trienoate.

Sources

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

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