Chemical Properties of 9-Hexadecenoic acid, eicosyl ester, (Z)-

InChI

InChI=1S/C36H70O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-35H2,1-2H3/b16-14-

InChI Key

FIETWBRPSYJUOM-PEZBUJJGSA-N

Formula

C36H70O2

SMILES

CCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC

Molecular Weight¹

534.95

Other Names

• Hexadec-9-enoic acid icosyl ester, Z

• 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	1.4551		Relay (1.0) Calculated Property
ΔfG°	98.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-1024.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	91.98	kJ/mol	Joback Calculated Property
ΔvapH°	164.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-10.93		Relay (1.0) Calculated Property
logPoct/wat	12.829		Crippen Calculated Property
McVol	521.240	ml/mol	McGowan Calculated Property
Pc	477.56	kPa	Joback Calculated Property
Inp	[3730.31; 3730.31]
Inp	3730.31		NIST
Inp	3730.31		NIST
Tboil	693.62	K	Relay (1.0) Calculated Property
Tc	883.88	K	Relay (1.0) Calculated Property
Tfus	299.41	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	[1927.12; 2092.76]	J/mol×K	[1103.53; 1429.86]
Cp,gas	1927.12	J/mol×K	1103.53	Joback Calculated Property
Cp,gas	1960.79	J/mol×K	1157.92	Joback Calculated Property
Cp,gas	1991.51	J/mol×K	1212.31	Joback Calculated Property
Cp,gas	2019.68	J/mol×K	1266.69	Joback Calculated Property
Cp,gas	2045.69	J/mol×K	1321.08	Joback Calculated Property
Cp,gas	2069.92	J/mol×K	1375.47	Joback Calculated Property
Cp,gas	2092.76	J/mol×K	1429.86	Joback Calculated Property
η	[0.0000057; 0.0001922]	Pa×s	[562.56; 1103.53]
η	0.0001922	Pa×s	562.56	Joback Calculated Property
η	0.0000712	Pa×s	652.72	Joback Calculated Property
η	0.0000336	Pa×s	742.88	Joback Calculated Property
η	0.0000186	Pa×s	833.04	Joback Calculated Property
η	0.0000116	Pa×s	923.21	Joback Calculated Property
η	0.0000078	Pa×s	1013.37	Joback Calculated Property
η	0.0000057	Pa×s	1103.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 9-Hexadecenoic acid, eicosyl 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.
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