Chemical Properties of Dodecanoic acid, 2,3-dimethylphenyl ester

InChI

InChI=1S/C20H32O2/c1-4-5-6-7-8-9-10-11-12-16-20(21)22-19-15-13-14-17(2)18(19)3/h13-15H,4-12,16H2,1-3H3

InChI Key

FGJCENRKFKUYPW-UHFFFAOYSA-N

Formula

C20H32O2

SMILES

CCCCCCCCCCCC(=O)Oc1cccc(C)c1C

Molecular Weight¹

304.47

• 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).
• 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, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[393.94; 934.65]	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			4.81000e+00
Coefficient B			1.65116e+00
Coefficient C			-8.66720e-04
Coefficient D			1.45400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	393.94	J/mol×K	273.00	Calculated Property
Cp,gas	486.91	J/mol×K	353.78	Calculated Property
Cp,gas	570.59	J/mol×K	434.56	Calculated Property
Cp,gas	645.43	J/mol×K	515.33	Calculated Property
Cp,gas	711.90	J/mol×K	596.11	Calculated Property
Cp,gas	770.44	J/mol×K	676.89	Calculated Property
Cp,gas	821.53	J/mol×K	757.67	Calculated Property
Cp,gas	865.62	J/mol×K	838.44	Calculated Property
Cp,gas	903.18	J/mol×K	919.22	Calculated Property
Cp,gas	934.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010935; 0.0001059]	Pa×s	[408.95; 659.36]	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			-1.29664e+01
Coefficient B			2.51426e+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.			408.95
Temperature range, max.			659.36
η	0.0010935	Pa×s	408.95	Calculated Property
η	0.0007392	Pa×s	436.77	Calculated Property
η	0.0005236	Pa×s	464.60	Calculated Property
η	0.0003857	Pa×s	492.42	Calculated Property
η	0.0002935	Pa×s	520.24	Calculated Property
η	0.0002297	Pa×s	548.06	Calculated Property
η	0.0001840	Pa×s	575.89	Calculated Property
η	0.0001505	Pa×s	603.71	Calculated Property
η	0.0001252	Pa×s	631.53	Calculated Property
η	0.0001059	Pa×s	659.36	Calculated Property

Similar Compounds

Find more compounds similar to Dodecanoic acid, 2,3-dimethylphenyl ester.

Sources

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

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