Chemical Properties of Dodecanoic acid, 3-ethylphenyl ester

InChI

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

InChI Key

VAYPQHCPPFEZCG-UHFFFAOYSA-N

Formula

C20H32O2

SMILES

CCCCCCCCCCCC(=O)Oc1cccc(CC)c1

Molecular Weight¹

304.47

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation 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	[391.39; 937.69]	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			-9.48900e+00
Coefficient B			1.71064e+00
Coefficient C			-9.33760e-04
Coefficient D			1.70300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.39	J/mol×K	273.00	Calculated Property
Cp,gas	486.37	J/mol×K	353.78	Calculated Property
Cp,gas	571.52	J/mol×K	434.56	Calculated Property
Cp,gas	647.39	J/mol×K	515.33	Calculated Property
Cp,gas	714.51	J/mol×K	596.11	Calculated Property
Cp,gas	773.41	J/mol×K	676.89	Calculated Property
Cp,gas	824.64	J/mol×K	757.67	Calculated Property
Cp,gas	868.74	J/mol×K	838.44	Calculated Property
Cp,gas	906.25	J/mol×K	919.22	Calculated Property
Cp,gas	937.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013756; 0.0001067]	Pa×s	[396.43; 655.28]	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			-1.30604e+01
Coefficient B			2.56552e+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.			396.43
Temperature range, max.			655.28
η	0.0013756	Pa×s	396.43	Calculated Property
η	0.0008879	Pa×s	425.19	Calculated Property
η	0.0006058	Pa×s	453.95	Calculated Property
η	0.0004326	Pa×s	482.71	Calculated Property
η	0.0003209	Pa×s	511.47	Calculated Property
η	0.0002457	Pa×s	540.24	Calculated Property
η	0.0001932	Pa×s	569.00	Calculated Property
η	0.0001556	Pa×s	597.76	Calculated Property
η	0.0001277	Pa×s	626.52	Calculated Property
η	0.0001067	Pa×s	655.28	Calculated Property

Similar Compounds

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

Sources

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

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