Chemical Properties of Butanoic acid, 2,2-diethyl-3,3-dimethyl, ethyl ester

InChI

InChI=1S/C12H24O2/c1-7-12(8-2,11(4,5)6)10(13)14-9-3/h7-9H2,1-6H3

InChI Key

PDIVLKNUSLZXIC-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

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

Molecular Weight¹

200.32

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[273.46; 649.46]	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			-3.15570e+01
Coefficient B			1.34072e+00
Coefficient C			-8.78000e-04
Coefficient D			2.18300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	273.46	J/mol×K	273.00	Calculated Property
Cp,gas	342.54	J/mol×K	353.78	Calculated Property
Cp,gas	403.17	J/mol×K	434.56	Calculated Property
Cp,gas	456.07	J/mol×K	515.33	Calculated Property
Cp,gas	501.91	J/mol×K	596.11	Calculated Property
Cp,gas	541.38	J/mol×K	676.89	Calculated Property
Cp,gas	575.19	J/mol×K	757.67	Calculated Property
Cp,gas	604.01	J/mol×K	838.44	Calculated Property
Cp,gas	628.54	J/mol×K	919.22	Calculated Property
Cp,gas	649.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0093398; 0.0001978]	Pa×s	[272.17; 498.45]	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			-1.31651e+01
Coefficient B			2.31116e+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.			272.17
Temperature range, max.			498.45
η	0.0093398	Pa×s	272.17	Calculated Property
η	0.0045548	Pa×s	297.31	Calculated Property
η	0.0024845	Pa×s	322.45	Calculated Property
η	0.0014794	Pa×s	347.60	Calculated Property
η	0.0009447	Pa×s	372.74	Calculated Property
η	0.0006385	Pa×s	397.88	Calculated Property
η	0.0004521	Pa×s	423.02	Calculated Property
η	0.0003327	Pa×s	448.17	Calculated Property
η	0.0002530	Pa×s	473.31	Calculated Property
η	0.0001978	Pa×s	498.45	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2,2-diethyl-3,3-dimethyl, ethyl ester.

Sources

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

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