Chemical Properties of Carbonic acid, bis(2-methylpropyl) ester (CAS 539-92-4)

InChI

InChI=1S/C9H18O3/c1-7(2)5-11-9(10)12-6-8(3)4/h7-8H,5-6H2,1-4H3

InChI Key

UXXXZMDJQLPQPH-UHFFFAOYSA-N

Formula

C9H18O3

SMILES

CC(C)COC(=O)OCC(C)C

Molecular Weight¹

174.24

CAS

539-92-4

Other Names

• (iso-C4H9O)2C(O)
• Carbonic acid, diisobutyl ester
• Diisobutyl carbonate
• Isobutyl carbonate

• 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).
• 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).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[227.52; 511.33]	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			4.22520e+01
Coefficient B			7.52680e-01
Coefficient C			-2.66600e-04
Coefficient D			-1.70000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	227.52	J/mol×K	273.00	Calculated Property
Cp,gas	274.41	J/mol×K	353.78	Calculated Property
Cp,gas	317.59	J/mol×K	434.56	Calculated Property
Cp,gas	357.01	J/mol×K	515.33	Calculated Property
Cp,gas	392.60	J/mol×K	596.11	Calculated Property
Cp,gas	424.31	J/mol×K	676.89	Calculated Property
Cp,gas	452.09	J/mol×K	757.67	Calculated Property
Cp,gas	475.90	J/mol×K	838.44	Calculated Property
Cp,gas	495.66	J/mol×K	919.22	Calculated Property
Cp,gas	511.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0104379; 0.0001973]	Pa×s	[225.75; 463.84]	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			-1.22936e+01
Coefficient B			1.74533e+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.			225.75
Temperature range, max.			463.84
η	0.0104379	Pa×s	225.75	Calculated Property
η	0.0046390	Pa×s	252.20	Calculated Property
η	0.0024049	Pa×s	278.66	Calculated Property
η	0.0013972	Pa×s	305.11	Calculated Property
η	0.0008852	Pa×s	331.57	Calculated Property
η	0.0006000	Pa×s	358.02	Calculated Property
η	0.0004290	Pa×s	384.48	Calculated Property
η	0.0003203	Pa×s	410.93	Calculated Property
η	0.0002477	Pa×s	437.38	Calculated Property
η	0.0001973	Pa×s	463.84	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, bis(2-methylpropyl) ester.

Sources

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

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