Chemical Properties of Acetoxyacetic acid, nonyl ester

InChI

InChI=1S/C13H24O4/c1-3-4-5-6-7-8-9-10-16-13(15)11-17-12(2)14/h3-11H2,1-2H3

InChI Key

XTGNORUZGLCPJZ-UHFFFAOYSA-N

Formula

C13H24O4

SMILES

CCCCCCCCCOC(=O)COC(C)=O

Molecular Weight¹

244.33

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[313.94; 706.23]	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			4.18890e+01
Coefficient B			1.12924e+00
Coefficient C			-4.94200e-04
Coefficient D			2.93000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	313.94	J/mol×K	273.00	Calculated Property
Cp,gas	380.83	J/mol×K	353.78	Calculated Property
Cp,gas	441.69	J/mol×K	434.56	Calculated Property
Cp,gas	496.59	J/mol×K	515.33	Calculated Property
Cp,gas	545.63	J/mol×K	596.11	Calculated Property
Cp,gas	588.91	J/mol×K	676.89	Calculated Property
Cp,gas	626.52	J/mol×K	757.67	Calculated Property
Cp,gas	658.55	J/mol×K	838.44	Calculated Property
Cp,gas	685.09	J/mol×K	919.22	Calculated Property
Cp,gas	706.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035024; 0.0001745]	Pa×s	[320.93; 549.53]	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			-1.28645e+01
Coefficient B			2.31396e+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.			320.93
Temperature range, max.			549.53
η	0.0035024	Pa×s	320.93	Calculated Property
η	0.0020640	Pa×s	346.33	Calculated Property
η	0.0013075	Pa×s	371.73	Calculated Property
η	0.0008781	Pa×s	397.13	Calculated Property
η	0.0006186	Pa×s	422.53	Calculated Property
η	0.0004535	Pa×s	447.93	Calculated Property
η	0.0003437	Pa×s	473.33	Calculated Property
η	0.0002679	Pa×s	498.73	Calculated Property
η	0.0002140	Pa×s	524.13	Calculated Property
η	0.0001745	Pa×s	549.53	Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic acid, nonyl ester.

Sources

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

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