Chemical Properties of 1-Butoxypropan-2-yl nonanoate

InChI

InChI=1S/C16H32O3/c1-4-6-8-9-10-11-12-16(17)19-15(3)14-18-13-7-5-2/h15H,4-14H2,1-3H3

InChI Key

DFJWSEMSFWZLQX-UHFFFAOYSA-N

Formula

C16H32O3

SMILES

CCCCCCCCC(=O)OC(C)COCCCC

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	[376.33; 871.93]	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			3.75710e+01
Coefficient B			1.41176e+00
Coefficient C			-6.44200e-04
Coefficient D			6.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	376.33	J/mol×K	273.00	Calculated Property
Cp,gas	459.35	J/mol×K	353.78	Calculated Property
Cp,gas	534.89	J/mol×K	434.56	Calculated Property
Cp,gas	603.16	J/mol×K	515.33	Calculated Property
Cp,gas	664.37	J/mol×K	596.11	Calculated Property
Cp,gas	718.73	J/mol×K	676.89	Calculated Property
Cp,gas	766.46	J/mol×K	757.67	Calculated Property
Cp,gas	807.76	J/mol×K	838.44	Calculated Property
Cp,gas	842.85	J/mol×K	919.22	Calculated Property
Cp,gas	871.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033407; 0.0001298]	Pa×s	[319.64; 569.41]	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			-1.31056e+01
Coefficient B			2.36663e+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.			319.64
Temperature range, max.			569.41
η	0.0033407	Pa×s	319.64	Calculated Property
η	0.0018491	Pa×s	347.39	Calculated Property
η	0.0011171	Pa×s	375.14	Calculated Property
η	0.0007234	Pa×s	402.90	Calculated Property
η	0.0004954	Pa×s	430.65	Calculated Property
η	0.0003552	Pa×s	458.40	Calculated Property
η	0.0002645	Pa×s	486.15	Calculated Property
η	0.0002034	Pa×s	513.91	Calculated Property
η	0.0001606	Pa×s	541.66	Calculated Property
η	0.0001298	Pa×s	569.41	Calculated Property

Similar Compounds

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

Sources

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

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