Chemical Properties of Butanoic acid, 2,3-dimethyl-, ethyl ester (CAS 54004-42-1)

InChI

InChI=1S/C8H16O2/c1-5-10-8(9)7(4)6(2)3/h6-7H,5H2,1-4H3

InChI Key

UOLDHHQOKRYISV-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

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

Molecular Weight¹

144.21

CAS

54004-42-1

Other Names

• Ethyl 2,3-dimethylbutanoate

• 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	[190.90; 441.24]	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			1.76610e+01
Coefficient B			7.20880e-01
Coefficient C			-3.23200e-04
Coefficient D			2.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	190.90	J/mol×K	273.00	Calculated Property
Cp,gas	233.39	J/mol×K	353.78	Calculated Property
Cp,gas	272.02	J/mol×K	434.56	Calculated Property
Cp,gas	306.87	J/mol×K	515.33	Calculated Property
Cp,gas	338.02	J/mol×K	596.11	Calculated Property
Cp,gas	365.57	J/mol×K	676.89	Calculated Property
Cp,gas	389.58	J/mol×K	757.67	Calculated Property
Cp,gas	410.14	J/mol×K	838.44	Calculated Property
Cp,gas	427.33	J/mol×K	919.22	Calculated Property
Cp,gas	441.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0193686; 0.0002315]	Pa×s	[192.25; 433.58]	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			-1.18977e+01
Coefficient B			1.52908e+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.			192.25
Temperature range, max.			433.58
η	0.0193686	Pa×s	192.25	Calculated Property
η	0.0073163	Pa×s	219.06	Calculated Property
η	0.0034174	Pa×s	245.88	Calculated Property
η	0.0018541	Pa×s	272.69	Calculated Property
η	0.0011223	Pa×s	299.51	Calculated Property
η	0.0007378	Pa×s	326.32	Calculated Property
η	0.0005169	Pa×s	353.14	Calculated Property
η	0.0003808	Pa×s	379.95	Calculated Property
η	0.0002921	Pa×s	406.76	Calculated Property
η	0.0002315	Pa×s	433.58	Calculated Property

Similar Compounds

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

Sources

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

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