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

InChI

InChI=1S/C8H16O3/c1-7(10-6-9)5-11-8(2,3)4/h6-7H,5H2,1-4H3

InChI Key

GHCHXRKSYDOKEP-UHFFFAOYSA-N

Formula

C8H16O3

SMILES

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

Molecular Weight¹

160.21

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, 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	[199.64; 444.54]	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			-3.90000e-02
Coefficient B			8.80680e-01
Coefficient C			-5.88200e-04
Coefficient D			1.52100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.64	J/mol×K	273.00	Calculated Property
Cp,gas	244.64	J/mol×K	353.78	Calculated Property
Cp,gas	284.07	J/mol×K	434.56	Calculated Property
Cp,gas	318.41	J/mol×K	515.33	Calculated Property
Cp,gas	348.15	J/mol×K	596.11	Calculated Property
Cp,gas	373.75	J/mol×K	676.89	Calculated Property
Cp,gas	395.72	J/mol×K	757.67	Calculated Property
Cp,gas	414.51	J/mol×K	838.44	Calculated Property
Cp,gas	430.63	J/mol×K	919.22	Calculated Property
Cp,gas	444.54	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0044252; 0.0003550]	Pa×s	[248.27; 449.33]	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			-1.10585e+01
Coefficient B			1.39976e+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.			248.27
Temperature range, max.			449.33
η	0.0044252	Pa×s	248.27	Calculated Property
η	0.0027784	Pa×s	270.61	Calculated Property
η	0.0018727	Pa×s	292.95	Calculated Property
η	0.0013349	Pa×s	315.29	Calculated Property
η	0.0009951	Pa×s	337.63	Calculated Property
η	0.0007693	Pa×s	359.97	Calculated Property
η	0.0006130	Pa×s	382.31	Calculated Property
η	0.0005008	Pa×s	404.65	Calculated Property
η	0.0004179	Pa×s	426.99	Calculated Property
η	0.0003550	Pa×s	449.33	Calculated Property

Similar Compounds

Find more compounds similar to Formic 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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