Chemical Properties of Octadeca-9,12,15-trienoic acid docosyl ester, Z,Z,Z

InChI

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

InChI Key

FTWQNDJWUSTNNM-YABKDYGWSA-N

Formula

C40H74O2

SMILES

CCC=CCC=CCC=CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

587.01

• 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	1.4361		Relay (1.0) Calculated Property
ΔfG°	292.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-1010.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	102.75	kJ/mol	Joback Calculated Property
ΔvapH°	175.92	kJ/mol	Relay (1.0) Calculated Property
IE	8.97	eV	Relay (1.0) Calculated Property
log10WS	-11.61		Relay (1.0) 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	[4129.59; 4129.59]
Inp	4129.59		NIST
Inp	4129.59		NIST
Tboil	728.33	K	Relay (1.0) Calculated Property
Tc	908.15	K	Relay (1.0) Calculated Property
Tfus	310.16	K	Relay (1.0) Calculated Property
Vc	2.101	m3/kmol	Relay (1.0) 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 Octadeca-9,12,15-trienoic acid docosyl ester, Z,Z,Z.

Sources

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

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