Chemical Properties of 1-(tert-Butoxy)propan-2-yl isobutyl carbonate

InChI

InChI=1S/C12H24O4/c1-9(2)7-14-11(13)16-10(3)8-15-12(4,5)6/h9-10H,7-8H2,1-6H3

InChI Key

HXTNNHAIUBCQJS-UHFFFAOYSA-N

Formula

C12H24O4

SMILES

CC(C)COC(=O)OC(C)COC(C)(C)C

Molecular Weight¹

232.32

• 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).
• 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 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	[305.10; 686.07]	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			4.05520e+01
Coefficient B			1.10032e+00
Coefficient C			-4.90600e-04
Coefficient D			3.58000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.10	J/mol×K	273.00	Calculated Property
Cp,gas	370.00	J/mol×K	353.78	Calculated Property
Cp,gas	429.00	J/mol×K	434.56	Calculated Property
Cp,gas	482.20	J/mol×K	515.33	Calculated Property
Cp,gas	529.71	J/mol×K	596.11	Calculated Property
Cp,gas	571.67	J/mol×K	676.89	Calculated Property
Cp,gas	608.17	J/mol×K	757.67	Calculated Property
Cp,gas	639.32	J/mol×K	838.44	Calculated Property
Cp,gas	665.25	J/mol×K	919.22	Calculated Property
Cp,gas	686.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0060237; 0.0001239]	Pa×s	[284.21; 528.05]	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			-1.35229e+01
Coefficient B			2.39044e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			284.21
Temperature range, max.			528.05
η	0.0060237	Pa×s	284.21	Calculated Property
η	0.0028970	Pa×s	311.30	Calculated Property
η	0.0015666	Pa×s	338.40	Calculated Property
η	0.0009280	Pa×s	365.49	Calculated Property
η	0.0005909	Pa×s	392.58	Calculated Property
η	0.0003988	Pa×s	419.68	Calculated Property
η	0.0002823	Pa×s	446.77	Calculated Property
η	0.0002079	Pa×s	473.86	Calculated Property
η	0.0001583	Pa×s	500.96	Calculated Property
η	0.0001239	Pa×s	528.05	Calculated Property

Similar Compounds

Find more compounds similar to 1-(tert-Butoxy)propan-2-yl isobutyl carbonate.

Sources

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

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