Chemical Properties of m-anisic acid, undec-2-enyl ester

InChI

InChI=1S/C19H28O3/c1-3-4-5-6-7-8-9-10-11-15-22-19(20)17-13-12-14-18(16-17)21-2/h10-14,16H,3-9,15H2,1-2H3/b11-10+

InChI Key

VAGYOTSVLFBXDK-ZHACJKMWSA-N

Formula

C19H28O3

SMILES

CCCCCCCC/C=C/COC(=O)c1cccc(OC)c1

Molecular Weight¹

304.43

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.58; 874.02]	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			2.73800e+00
Coefficient B			1.57244e+00
Coefficient C			-8.52160e-04
Coefficient D			1.51000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.58	J/mol×K	273.00	Calculated Property
Cp,gas	459.06	J/mol×K	353.78	Calculated Property
Cp,gas	537.52	J/mol×K	434.56	Calculated Property
Cp,gas	607.43	J/mol×K	515.33	Calculated Property
Cp,gas	669.26	J/mol×K	596.11	Calculated Property
Cp,gas	723.49	J/mol×K	676.89	Calculated Property
Cp,gas	770.61	J/mol×K	757.67	Calculated Property
Cp,gas	811.08	J/mol×K	838.44	Calculated Property
Cp,gas	845.39	J/mol×K	919.22	Calculated Property
Cp,gas	874.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009623; 0.0000786]	Pa×s	[402.31; 661.89]	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			-1.33336e+01
Coefficient B			2.56969e+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.			402.31
Temperature range, max.			661.89
η	0.0009623	Pa×s	402.31	Calculated Property
η	0.0006277	Pa×s	431.15	Calculated Property
η	0.0004319	Pa×s	459.99	Calculated Property
η	0.0003107	Pa×s	488.84	Calculated Property
η	0.0002318	Pa×s	517.68	Calculated Property
η	0.0001784	Pa×s	546.52	Calculated Property
η	0.0001409	Pa×s	575.36	Calculated Property
η	0.0001139	Pa×s	604.21	Calculated Property
η	0.0000938	Pa×s	633.05	Calculated Property
η	0.0000786	Pa×s	661.89	Calculated Property

Similar Compounds

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

Sources

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

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