Chemical Properties of Peroxycarbonic acid, oo-tert-butyl isopropyl ester

InChI

InChI=1S/C8H16O4/c1-6(2)10-7(9)11-12-8(3,4)5/h6H,1-5H3

InChI Key

KDGNCLDCOVTOCS-UHFFFAOYSA-N

Formula

C8H16O4

SMILES

CC(C)OC(=O)OOC(C)(C)C

Molecular Weight¹

176.21

Other Names

• O,O-tert-butyl isopropyl monoperoxycarbonate

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[220.56; 479.17]	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			4.58700e+01
Coefficient B			7.14400e-01
Coefficient C			-2.69800e-04
Coefficient D			-1.13000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	220.56	J/mol×K	273.00	Calculated Property
Cp,gas	264.34	J/mol×K	353.78	Calculated Property
Cp,gas	304.44	J/mol×K	434.56	Calculated Property
Cp,gas	340.83	J/mol×K	515.33	Calculated Property
Cp,gas	373.47	J/mol×K	596.11	Calculated Property
Cp,gas	402.32	J/mol×K	676.89	Calculated Property
Cp,gas	427.35	J/mol×K	757.67	Calculated Property
Cp,gas	448.53	J/mol×K	838.44	Calculated Property
Cp,gas	465.81	J/mol×K	919.22	Calculated Property
Cp,gas	479.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0061344; 0.0001771]	Pa×s	[254.13; 467.06]	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			-1.28693e+01
Coefficient B			1.97598e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			254.13
Temperature range, max.			467.06
η	0.0061344	Pa×s	254.13	Calculated Property
η	0.0031635	Pa×s	277.79	Calculated Property
η	0.0018101	Pa×s	301.45	Calculated Property
η	0.0011234	Pa×s	325.11	Calculated Property
η	0.0007438	Pa×s	348.77	Calculated Property
η	0.0005190	Pa×s	372.43	Calculated Property
η	0.0003780	Pa×s	396.08	Calculated Property
η	0.0002854	Pa×s	419.74	Calculated Property
η	0.0002220	Pa×s	443.40	Calculated Property
η	0.0001771	Pa×s	467.06	Calculated Property

Similar Compounds

Find more compounds similar to Peroxycarbonic acid, oo-tert-butyl isopropyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.