Chemical Properties of 1-tert-Butoxypropan-2-yl nonanoate

InChI

InChI=1S/C16H32O3/c1-6-7-8-9-10-11-12-15(17)19-14(2)13-18-16(3,4)5/h14H,6-13H2,1-5H3

InChI Key

FGLVSVRSIWXAKB-UHFFFAOYSA-N

Formula

C16H32O3

SMILES

CCCCCCCCC(=O)OC(C)COC(C)(C)C

Molecular Weight¹

272.43

• 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).
• 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, Ionization energy 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	[374.87; 873.40]	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			1.30980e+01
Coefficient B			1.53760e+00
Coefficient C			-8.16000e-04
Coefficient D			1.38700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	374.87	J/mol×K	273.00	Calculated Property
Cp,gas	461.08	J/mol×K	353.78	Calculated Property
Cp,gas	538.56	J/mol×K	434.56	Calculated Property
Cp,gas	607.75	J/mol×K	515.33	Calculated Property
Cp,gas	669.09	J/mol×K	596.11	Calculated Property
Cp,gas	723.02	J/mol×K	676.89	Calculated Property
Cp,gas	769.98	J/mol×K	757.67	Calculated Property
Cp,gas	810.40	J/mol×K	838.44	Calculated Property
Cp,gas	844.73	J/mol×K	919.22	Calculated Property
Cp,gas	873.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039096; 0.0001141]	Pa×s	[322.06; 571.65]	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			-1.36396e+01
Coefficient B			2.60717e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			322.06
Temperature range, max.			571.65
η	0.0039096	Pa×s	322.06	Calculated Property
η	0.0020578	Pa×s	349.79	Calculated Property
η	0.0011902	Pa×s	377.52	Calculated Property
η	0.0007420	Pa×s	405.26	Calculated Property
η	0.0004914	Pa×s	432.99	Calculated Property
η	0.0003420	Pa×s	460.72	Calculated Property
η	0.0002480	Pa×s	488.45	Calculated Property
η	0.0001862	Pa×s	516.18	Calculated Property
η	0.0001439	Pa×s	543.91	Calculated Property
η	0.0001141	Pa×s	571.65	Calculated Property

Similar Compounds

Find more compounds similar to 1-tert-Butoxypropan-2-yl nonanoate.

Sources

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

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