Chemical Properties of Pentyl linoleate (CAS 108906-10-1)

InChI

InChI=1S/C23H42O2/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/h9-10,12-13H,3-8,11,14-22H2,1-2H3/b10-9-,13-12-

InChI Key

RWSPHQOPNBVTAO-UTJQPWESSA-N

Formula

C23H42O2

SMILES

CCCCCC=CCC=CCCCCCCCC(=O)OCCCCC

Molecular Weight¹

350.58

CAS

108906-10-1

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-705.17	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.10	kJ/mol	Joback Calculated Property
ΔvapH°	108.78	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-6.86		Relay (1.0) Calculated Property
logPoct/wat	7.533		Crippen Calculated Property
McVol	333.770	ml/mol	McGowan Calculated Property
Pc	908.89	kPa	Joback Calculated Property
Inp	[2416.90; 2416.90]
Inp	2416.90		NIST
Inp	2416.90		NIST
Tboil	617.76	K	Relay (1.0) Calculated Property
Tc	802.72	K	Relay (1.0) Calculated Property
Tfus	263.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1034.57; 1139.94]	J/mol×K	[792.38; 973.34]
Cp,gas	1034.57	J/mol×K	792.38	Joback Calculated Property
Cp,gas	1054.51	J/mol×K	822.54	Joback Calculated Property
Cp,gas	1073.44	J/mol×K	852.70	Joback Calculated Property
Cp,gas	1091.39	J/mol×K	882.86	Joback Calculated Property
Cp,gas	1108.43	J/mol×K	913.02	Joback Calculated Property
Cp,gas	1124.60	J/mol×K	943.18	Joback Calculated Property
Cp,gas	1139.94	J/mol×K	973.34	Joback Calculated Property
η	[0.0000323; 0.0014975]	Pa×s	[381.14; 792.38]
η	0.0014975	Pa×s	381.14	Joback Calculated Property
η	0.0004852	Pa×s	449.68	Joback Calculated Property
η	0.0002118	Pa×s	518.22	Joback Calculated Property
η	0.0001122	Pa×s	586.76	Joback Calculated Property
η	0.0000679	Pa×s	655.30	Joback Calculated Property
η	0.0000452	Pa×s	723.84	Joback Calculated Property
η	0.0000323	Pa×s	792.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentyl linoleate.

Sources

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

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