Chemical Properties of Icosanoic acid tetradec-9-enyl ester, Z

InChI

InChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h10,12H,3-9,11,13-33H2,1-2H3/b12-10+

InChI Key

NGFWMWUDSHTEQU-ZRDIBKRKSA-N

Formula

C34H66O2

SMILES

CCCC/C=C/CCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC

Molecular Weight¹

506.90

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.3789		Relay (1.0) Calculated Property
ΔfG°	81.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-973.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	86.81	kJ/mol	Joback Calculated Property
ΔvapH°	155.37	kJ/mol	Relay (1.0) Calculated Property
IE	9.31	eV	Relay (1.0) Calculated Property
log10WS	-10.58		Relay (1.0) Calculated Property
logPoct/wat	12.048		Crippen Calculated Property
McVol	493.060	ml/mol	McGowan Calculated Property
Pc	520.31	kPa	Joback Calculated Property
Inp	[3541.84; 3541.84]
Inp	3541.84		NIST
Inp	3541.84		NIST
Tboil	683.74	K	Relay (1.0) Calculated Property
Tc	870.04	K	Relay (1.0) Calculated Property
Tfus	309.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1790.65; 1941.76]	J/mol×K	[1057.77; 1345.09]
Cp,gas	1790.65	J/mol×K	1057.77	Joback Calculated Property
Cp,gas	1821.08	J/mol×K	1105.66	Joback Calculated Property
Cp,gas	1849.08	J/mol×K	1153.54	Joback Calculated Property
Cp,gas	1874.90	J/mol×K	1201.43	Joback Calculated Property
Cp,gas	1898.79	J/mol×K	1249.32	Joback Calculated Property
Cp,gas	1920.99	J/mol×K	1297.21	Joback Calculated Property
Cp,gas	1941.76	J/mol×K	1345.09	Joback Calculated Property
η	[0.0000078; 0.0002583]	Pa×s	[540.02; 1057.77]
η	0.0002583	Pa×s	540.02	Joback Calculated Property
η	0.0000966	Pa×s	626.31	Joback Calculated Property
η	0.0000458	Pa×s	712.60	Joback Calculated Property
η	0.0000255	Pa×s	798.89	Joback Calculated Property
η	0.0000159	Pa×s	885.19	Joback Calculated Property
η	0.0000108	Pa×s	971.48	Joback Calculated Property
η	0.0000078	Pa×s	1057.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Icosanoic acid tetradec-9-enyl ester, Z.

Sources

• Cheméo Relay (1.0)
• 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.