Chemical Properties of Docosanoic acid octadeca-9,12,15-trienyl ester, Z,Z,Z

InChI

InChI=1S/C40H74O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20H,3-5,7,9-11,13,15-17,19,21-39H2,1-2H3/b8-6+,14-12+,20-18+

InChI Key

MUTHJOFWVWQBLQ-PLYHIOEBSA-N

Formula

C40H74O2

SMILES

CCC=CCC=CCC=CCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

587.01

• 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°	292.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-762.07	kJ/mol	Joback Calculated Property
ΔfusH°	102.75	kJ/mol	Joback Calculated Property
ΔvapH°	113.66	kJ/mol	Joback Calculated Property
log10WS	-14.99		Crippen Calculated Property
logPoct/wat	13.941		Crippen Calculated Property
McVol	569.000	ml/mol	McGowan Calculated Property
Pc	424.07	kPa	Joback Calculated Property
Inp	[4130.13; 4130.13]
Inp	4130.13		NIST
Inp	4130.13		NIST
Tboil	1203.37	K	Joback Calculated Property
Tc	1610.47	K	Joback Calculated Property
Tfus	597.48	K	Joback Calculated Property
Vc	2.240	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2150.40; 2403.69]	J/mol×K	[1203.37; 1610.47]
Cp,gas	2150.40	J/mol×K	1203.37	Joback Calculated Property
Cp,gas	2193.88	J/mol×K	1271.22	Joback Calculated Property
Cp,gas	2235.50	J/mol×K	1339.07	Joback Calculated Property
Cp,gas	2276.27	J/mol×K	1406.92	Joback Calculated Property
Cp,gas	2317.22	J/mol×K	1474.77	Joback Calculated Property
Cp,gas	2359.35	J/mol×K	1542.62	Joback Calculated Property
Cp,gas	2403.69	J/mol×K	1610.47	Joback Calculated Property
η	[0.0000023; 0.0000913]	Pa×s	[597.48; 1203.37]
η	0.0000913	Pa×s	597.48	Joback Calculated Property
η	0.0000317	Pa×s	698.46	Joback Calculated Property
η	0.0000144	Pa×s	799.44	Joback Calculated Property
η	0.0000078	Pa×s	900.42	Joback Calculated Property
η	0.0000048	Pa×s	1001.41	Joback Calculated Property
η	0.0000032	Pa×s	1102.39	Joback Calculated Property
η	0.0000023	Pa×s	1203.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Docosanoic acid octadeca-9,12,15-trienyl ester, Z,Z,Z.

Sources

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

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