Chemical Properties of Octanoic acid, undec-2-enyl ester

InChI

InChI=1S/C19H36O2/c1-3-5-7-9-10-11-12-14-16-18-21-19(20)17-15-13-8-6-4-2/h14,16H,3-13,15,17-18H2,1-2H3/b16-14+

InChI Key

AZGGPZCFLRSOBV-JQIJEIRASA-N

Formula

C19H36O2

SMILES

CCCCCCCCC=CCOC(=O)CCCCCCC

Molecular Weight¹

296.49

• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[410.88; 977.08]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.15600e+00
Coefficient B			1.77404e+00
Coefficient C			-9.99000e-04
Coefficient D			2.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	410.88	J/mol×K	273.00	Calculated Property
Cp,gas	508.51	J/mol×K	353.78	Calculated Property
Cp,gas	595.95	J/mol×K	434.56	Calculated Property
Cp,gas	673.85	J/mol×K	515.33	Calculated Property
Cp,gas	742.84	J/mol×K	596.11	Calculated Property
Cp,gas	803.59	J/mol×K	676.89	Calculated Property
Cp,gas	856.74	J/mol×K	757.67	Calculated Property
Cp,gas	902.94	J/mol×K	838.44	Calculated Property
Cp,gas	942.84	J/mol×K	919.22	Calculated Property
Cp,gas	977.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025879; 0.0001092]	Pa×s	[341.14; 607.04]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.31840e+01
Coefficient B			2.46544e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			341.14
Temperature range, max.			607.04
η	0.0025879	Pa×s	341.14	Calculated Property
η	0.0014548	Pa×s	370.68	Calculated Property
η	0.0008904	Pa×s	400.23	Calculated Property
η	0.0005830	Pa×s	429.77	Calculated Property
η	0.0004031	Pa×s	459.32	Calculated Property
η	0.0002914	Pa×s	488.86	Calculated Property
η	0.0002186	Pa×s	518.40	Calculated Property
η	0.0001692	Pa×s	547.95	Calculated Property
η	0.0001344	Pa×s	577.49	Calculated Property
η	0.0001092	Pa×s	607.04	Calculated Property

Similar Compounds

Find more compounds similar to Octanoic acid, undec-2-enyl ester.

Sources

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

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