Chemical Properties of Butanoic acid, 2-methyl-, 1,2-dimethylpropyl ester (CAS 84696-83-3)

InChI

InChI=1S/C10H20O2/c1-6-8(4)10(11)12-9(5)7(2)3/h7-9H,6H2,1-5H3

InChI Key

AVTPHFBHRSGVRP-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CCC(C)C(=O)OC(C)C(C)C

Molecular Weight¹

172.26

CAS

84696-83-3

Other Names

• 3-Methylbutan-2-yl 2-methylbutanoate
• 1,2-dimethylpropyl 2-methylbutyrate

• 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).
• 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[233.01; 544.96]	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			1.41610e+01
Coefficient B			9.16800e-01
Coefficient C			-4.35200e-04
Coefficient D			4.92000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.01	J/mol×K	273.00	Calculated Property
Cp,gas	286.21	J/mol×K	353.78	Calculated Property
Cp,gas	334.42	J/mol×K	434.56	Calculated Property
Cp,gas	377.78	J/mol×K	515.33	Calculated Property
Cp,gas	416.45	J/mol×K	596.11	Calculated Property
Cp,gas	450.59	J/mol×K	676.89	Calculated Property
Cp,gas	480.36	J/mol×K	757.67	Calculated Property
Cp,gas	505.91	J/mol×K	838.44	Calculated Property
Cp,gas	527.39	J/mol×K	919.22	Calculated Property
Cp,gas	544.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0312223; 0.0002068]	Pa×s	[199.79; 465.80]	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			-1.22519e+01
Coefficient B			1.75522e+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.			199.79
Temperature range, max.			465.80
η	0.0312223	Pa×s	199.79	Calculated Property
η	0.0100638	Pa×s	229.35	Calculated Property
η	0.0042008	Pa×s	258.90	Calculated Property
η	0.0020972	Pa×s	288.46	Calculated Property
η	0.0011914	Pa×s	318.02	Calculated Property
η	0.0007451	Pa×s	347.57	Calculated Property
η	0.0005016	Pa×s	377.13	Calculated Property
η	0.0003576	Pa×s	406.68	Calculated Property
η	0.0002670	Pa×s	436.24	Calculated Property
η	0.0002068	Pa×s	465.80	Calculated Property

Similar Compounds

Find more compounds similar to Butanoic acid, 2-methyl-, 1,2-dimethylpropyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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