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

CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

585.00

• 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	1.3593		Relay (1.0) Calculated Property
ΔfG°	372.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-966.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	102.95	kJ/mol	Joback Calculated Property
ΔvapH°	175.76	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-11.35		Relay (1.0) Calculated Property
logPoct/wat	13.717		Crippen Calculated Property
McVol	564.700	ml/mol	McGowan Calculated Property
Pc	433.31	kPa	Joback Calculated Property
Inp	[4066.48; 4066.48]
Inp	4066.48		NIST
Inp	4066.48		NIST
Tboil	731.14	K	Relay (1.0) Calculated Property
Tc	912.47	K	Relay (1.0) Calculated Property
Tfus	301.47	K	Relay (1.0) Calculated Property
Vc	2.043	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[2124.37; 2396.28]	J/mol×K	[1207.53; 1602.77]
Cp,gas	2124.37	J/mol×K	1207.53	Joback Calculated Property
Cp,gas	2168.52	J/mol×K	1273.40	Joback Calculated Property
Cp,gas	2211.78	J/mol×K	1339.28	Joback Calculated Property
Cp,gas	2255.18	J/mol×K	1405.15	Joback Calculated Property
Cp,gas	2299.72	J/mol×K	1471.02	Joback Calculated Property
Cp,gas	2346.41	J/mol×K	1536.89	Joback Calculated Property
Cp,gas	2396.28	J/mol×K	1602.77	Joback Calculated Property
η	[0.0000020; 0.0000854]	Pa×s	[592.40; 1207.53]
η	0.0000854	Pa×s	592.40	Joback Calculated Property
η	0.0000289	Pa×s	694.92	Joback Calculated Property
η	0.0000129	Pa×s	797.44	Joback Calculated Property
η	0.0000069	Pa×s	899.96	Joback Calculated Property
η	0.0000042	Pa×s	1002.49	Joback Calculated Property
η	0.0000028	Pa×s	1105.01	Joback Calculated Property
η	0.0000020	Pa×s	1207.53	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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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