Chemical Properties of Acetic acid, 1-tert-butoxyprop-2-yl ester

InChI

InChI=1S/C9H18O3/c1-7(12-8(2)10)6-11-9(3,4)5/h7H,6H2,1-5H3

InChI Key

JEIHSRORUWXJGF-UHFFFAOYSA-N

Formula

C9H18O3

SMILES

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

Molecular Weight¹

174.24

• 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).
• 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	[226.37; 512.26]	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			1.94610e+01
Coefficient B			8.72600e-01
Coefficient C			-4.35200e-04
Coefficient D			5.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	226.37	J/mol×K	273.00	Calculated Property
Cp,gas	276.15	J/mol×K	353.78	Calculated Property
Cp,gas	321.02	J/mol×K	434.56	Calculated Property
Cp,gas	361.15	J/mol×K	515.33	Calculated Property
Cp,gas	396.72	J/mol×K	596.11	Calculated Property
Cp,gas	427.90	J/mol×K	676.89	Calculated Property
Cp,gas	454.87	J/mol×K	757.67	Calculated Property
Cp,gas	477.80	J/mol×K	838.44	Calculated Property
Cp,gas	496.87	J/mol×K	919.22	Calculated Property
Cp,gas	512.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0092558; 0.0001996]	Pa×s	[243.17; 466.68]	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			-1.26936e+01
Coefficient B			1.94805e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			243.17
Temperature range, max.			466.68
η	0.0092558	Pa×s	243.17	Calculated Property
η	0.0044058	Pa×s	268.00	Calculated Property
η	0.0023786	Pa×s	292.84	Calculated Property
η	0.0014140	Pa×s	317.67	Calculated Property
η	0.0009065	Pa×s	342.51	Calculated Property
η	0.0006171	Pa×s	367.34	Calculated Property
η	0.0004411	Pa×s	392.17	Calculated Property
η	0.0003281	Pa×s	417.01	Calculated Property
η	0.0002524	Pa×s	441.84	Calculated Property
η	0.0001996	Pa×s	466.68	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, 1-tert-butoxyprop-2-yl ester.

Sources

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

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