Chemical Properties of Pentyl oleate

InChI

InChI=1S/C23H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21-23(24)25-22-20-6-4-2/h12-13H,3-11,14-22H2,1-2H3/b13-12+

InChI Key

YEUKJHYLBPPSQJ-SEYXRHQNSA-N

Formula

C23H44O2

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCC

Molecular Weight¹

352.60

• 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	1.0003		Relay (1.0) Calculated Property
ΔfG°	-87.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-753.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.90	kJ/mol	Joback Calculated Property
ΔvapH°	111.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.88	eV	Relay (1.0) Calculated Property
log10WS	-7.18		Relay (1.0) Calculated Property
logPoct/wat	7.757		Crippen Calculated Property
McVol	338.070	ml/mol	McGowan Calculated Property
Pc	881.04	kPa	Joback Calculated Property
Inp	[2421.70; 2421.70]
Inp	2421.70		NIST
Inp	2421.70		NIST
Tboil	610.05	K	Relay (1.0) Calculated Property
Tc	805.94	K	Relay (1.0) Calculated Property
Tfus	257.92	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	[1059.00; 1167.08]	J/mol×K	[788.22; 966.92]
Cp,gas	1059.00	J/mol×K	788.22	Joback Calculated Property
Cp,gas	1079.53	J/mol×K	818.00	Joback Calculated Property
Cp,gas	1098.99	J/mol×K	847.79	Joback Calculated Property
Cp,gas	1117.44	J/mol×K	877.57	Joback Calculated Property
Cp,gas	1134.91	J/mol×K	907.35	Joback Calculated Property
Cp,gas	1151.45	J/mol×K	937.13	Joback Calculated Property
Cp,gas	1167.08	J/mol×K	966.92	Joback Calculated Property
η	[0.0000371; 0.0015838]	Pa×s	[386.22; 788.22]
η	0.0015838	Pa×s	386.22	Joback Calculated Property
η	0.0005336	Pa×s	453.22	Joback Calculated Property
η	0.0002380	Pa×s	520.22	Joback Calculated Property
η	0.0001276	Pa×s	587.22	Joback Calculated Property
η	0.0000777	Pa×s	654.22	Joback Calculated Property
η	0.0000519	Pa×s	721.22	Joback Calculated Property
η	0.0000371	Pa×s	788.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentyl oleate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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