Chemical Properties of Dodecanoic acid tert-butyl ester (CAS 7143-18-2)

InChI

InChI=1S/C16H32O2/c1-5-6-7-8-9-10-11-12-13-14-15(17)18-16(2,3)4/h5-14H2,1-4H3

InChI Key

WJXKWIFHRZWPET-UHFFFAOYSA-N

Formula

C16H32O2

SMILES

CCCCCCCCCCCC(=O)OC(C)(C)C

Molecular Weight¹

256.42

CAS

7143-18-2

Other Names

• Dodecanoic acid, 1,1-dimethylethyl ester
• Lauric acid, tert-butyl ester

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• 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 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	[359.78; 854.36]	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			-1.07200e+01
Coefficient B			1.59488e+00
Coefficient C			-9.23800e-04
Coefficient D			1.94000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.78	J/mol×K	273.00	Calculated Property
Cp,gas	446.48	J/mol×K	353.78	Calculated Property
Cp,gas	523.81	J/mol×K	434.56	Calculated Property
Cp,gas	592.39	J/mol×K	515.33	Calculated Property
Cp,gas	652.83	J/mol×K	596.11	Calculated Property
Cp,gas	705.74	J/mol×K	676.89	Calculated Property
Cp,gas	751.73	J/mol×K	757.67	Calculated Property
Cp,gas	791.42	J/mol×K	838.44	Calculated Property
Cp,gas	825.43	J/mol×K	919.22	Calculated Property
Cp,gas	854.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044857; 0.0001559]	Pa×s	[314.83; 554.47]	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			-1.31801e+01
Coefficient B			2.44726e+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.			314.83
Temperature range, max.			554.47
η	0.0044857	Pa×s	314.83	Calculated Property
η	0.0024467	Pa×s	341.46	Calculated Property
η	0.0014568	Pa×s	368.08	Calculated Property
η	0.0009303	Pa×s	394.71	Calculated Property
η	0.0006287	Pa×s	421.34	Calculated Property
η	0.0004452	Pa×s	447.96	Calculated Property
η	0.0003276	Pa×s	474.59	Calculated Property
η	0.0002491	Pa×s	501.22	Calculated Property
η	0.0001947	Pa×s	527.84	Calculated Property
η	0.0001559	Pa×s	554.47	Calculated Property

Similar Compounds

Find more compounds similar to Dodecanoic acid tert-butyl ester.

Sources

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

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