Chemical Properties of 3-(Octadecyloxy)propyl oleate

InChI

InChI=1S/C39H76O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-41-37-34-38-42-39(40)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-38H2,1-2H3/b20-18-

InChI Key

DGJSXVYZCNEXGC-ZZEZOPTASA-N

Formula

C39H76O3

SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCCCOCCCCCCCCCCCCCCCCCC

Molecular Weight¹

593.02

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	1.5999		Relay (1.0) Calculated Property
ΔfH°gas	-1220.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	100.94	kJ/mol	Joback Calculated Property
ΔvapH°	173.51	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-11.06		Relay (1.0) Calculated Property
logPoct/wat	13.235		Crippen Calculated Property
McVol	569.380	ml/mol	McGowan Calculated Property
Pc	419.74	kPa	Joback Calculated Property
Inp	[385.30; 403.60]
Inp	402.80		NIST
Inp	403.60		NIST
Inp	385.30		NIST
Tboil	733.26	K	Relay (1.0) Calculated Property
Tc	907.58	K	Relay (1.0) Calculated Property
Tfus	305.69	K	Relay (1.0) Calculated Property
Vc	2.176	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation 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	[2162.48; 2332.57]	J/mol×K	[1194.59; 1624.89]
Cp,gas	2162.48	J/mol×K	1194.59	Joback Calculated Property
Cp,gas	2200.64	J/mol×K	1266.31	Joback Calculated Property
Cp,gas	2233.75	J/mol×K	1338.02	Joback Calculated Property
Cp,gas	2262.65	J/mol×K	1409.74	Joback Calculated Property
Cp,gas	2288.19	J/mol×K	1481.46	Joback Calculated Property
Cp,gas	2311.22	J/mol×K	1553.17	Joback Calculated Property
Cp,gas	2332.57	J/mol×K	1624.89	Joback Calculated Property
η	[0.0000025; 0.0000799]	Pa×s	[618.60; 1194.59]
η	0.0000799	Pa×s	618.60	Joback Calculated Property
η	0.0000304	Pa×s	714.60	Joback Calculated Property
η	0.0000146	Pa×s	810.60	Joback Calculated Property
η	0.0000081	Pa×s	906.59	Joback Calculated Property
η	0.0000051	Pa×s	1002.59	Joback Calculated Property
η	0.0000035	Pa×s	1098.59	Joback Calculated Property
η	0.0000025	Pa×s	1194.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(Octadecyloxy)propyl oleate.

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

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