Chemical Properties of Butanoic acid, 2-isopropyl-2,3,3-trimethyl, ethyl ester

InChI

InChI=1S/C12H24O2/c1-8-14-10(13)12(7,9(2)3)11(4,5)6/h9H,8H2,1-7H3

InChI Key

AYKXSKJFLXRXGM-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

CCOC(=O)C(C)(C(C)C)C(C)(C)C

Molecular Weight¹

200.32

Other Names

• Butanoic acid, 2,3,3-trimethyl-2-(1-methylethyl), ethyl ester

• 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).
• 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, 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	[273.15; 650.00]	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			-3.32390e+01
Coefficient B			1.34664e+00
Coefficient C			-8.81200e-04
Coefficient D			2.17800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	273.15	J/mol×K	273.00	Calculated Property
Cp,gas	342.53	J/mol×K	353.78	Calculated Property
Cp,gas	403.42	J/mol×K	434.56	Calculated Property
Cp,gas	456.52	J/mol×K	515.33	Calculated Property
Cp,gas	502.51	J/mol×K	596.11	Calculated Property
Cp,gas	542.09	J/mol×K	676.89	Calculated Property
Cp,gas	575.94	J/mol×K	757.67	Calculated Property
Cp,gas	604.74	J/mol×K	838.44	Calculated Property
Cp,gas	629.20	J/mol×K	919.22	Calculated Property
Cp,gas	650.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0155279; 0.0001825]	Pa×s	[257.17; 500.84]	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			-1.32991e+01
Coefficient B			2.34898e+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.			257.17
Temperature range, max.			500.84
η	0.0155279	Pa×s	257.17	Calculated Property
η	0.0065053	Pa×s	284.24	Calculated Property
η	0.0031706	Pa×s	311.32	Calculated Property
η	0.0017337	Pa×s	338.39	Calculated Property
η	0.0010367	Pa×s	365.47	Calculated Property
η	0.0006654	Pa×s	392.54	Calculated Property
η	0.0004523	Pa×s	419.62	Calculated Property
η	0.0003222	Pa×s	446.69	Calculated Property
η	0.0002385	Pa×s	473.77	Calculated Property
η	0.0001825	Pa×s	500.84	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-isopropyl-2,3,3-trimethyl, ethyl ester.

Sources

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

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