Chemical Properties of Icosa-5,8,11,14-tetraenoic acid icosyl ester, Z,Z,Z,Z

InChI

InChI=1S/C40H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,24,26,30,32H,3-11,13,15-17,19,21-23,25,27-29,31,33-39H2,1-2H3/b14-12+,20-18+,26-24+,32-30+

InChI Key

GVQSBNGRZGAXTP-NBORNWBVSA-N

Formula

C40H72O2

SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

585.01

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-930.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	104.53	kJ/mol	Joback Calculated Property
ΔvapH°	185.37	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-11.06		Relay (1.0) Calculated Property
logPoct/wat	13.717		Crippen Calculated Property
McVol	564.700	ml/mol	McGowan Calculated Property
Pc	426.00	kPa	Joback Calculated Property
Inp	[4066.48; 4066.48]
Inp	4066.48		NIST
Inp	4066.48		NIST
Tboil	720.72	K	Relay (1.0) Calculated Property
Tc	922.10	K	Relay (1.0) Calculated Property
Tfus	260.17	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2109.64; 2361.82]	J/mol×K	[1189.66; 1572.10]
Cp,gas	2109.64	J/mol×K	1189.66	Joback Calculated Property
Cp,gas	2151.56	J/mol×K	1253.40	Joback Calculated Property
Cp,gas	2192.28	J/mol×K	1317.14	Joback Calculated Property
Cp,gas	2232.74	J/mol×K	1380.88	Joback Calculated Property
Cp,gas	2273.87	J/mol×K	1444.62	Joback Calculated Property
Cp,gas	2316.58	J/mol×K	1508.36	Joback Calculated Property
Cp,gas	2361.82	J/mol×K	1572.10	Joback Calculated Property
η	[0.0000017; 0.0001040]	Pa×s	[562.57; 1189.66]
η	0.0001040	Pa×s	562.57	Joback Calculated Property
η	0.0000308	Pa×s	667.09	Joback Calculated Property
η	0.0000127	Pa×s	771.60	Joback Calculated Property
η	0.0000064	Pa×s	876.12	Joback Calculated Property
η	0.0000038	Pa×s	980.63	Joback Calculated Property
η	0.0000025	Pa×s	1085.14	Joback Calculated Property
η	0.0000017	Pa×s	1189.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Icosa-5,8,11,14-tetraenoic acid icosyl ester, Z,Z,Z,Z.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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