Chemical Properties of NONANOIC ACID, 1-METHYLETHYL ESTER

InChI

InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3

InChI Key

DVFZGWDMFKTMFQ-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

CCCCCCCCC(=O)OC(C)C

Molecular Weight¹

200.32

Other Names

• Isopropyl nonanoate
• isopropyl nonan-1-oate

• 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.
• I_p : 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 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	[276.07; 647.07]	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			1.57070e+01
Coefficient B			1.09496e+00
Coefficient C			-5.37600e-04
Coefficient D			7.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	276.07	J/mol×K	273.00	Calculated Property
Cp,gas	339.07	J/mol×K	353.78	Calculated Property
Cp,gas	396.08	J/mol×K	434.56	Calculated Property
Cp,gas	447.33	J/mol×K	515.33	Calculated Property
Cp,gas	493.06	J/mol×K	596.11	Calculated Property
Cp,gas	533.51	J/mol×K	676.89	Calculated Property
Cp,gas	568.89	J/mol×K	757.67	Calculated Property
Cp,gas	599.46	J/mol×K	838.44	Calculated Property
Cp,gas	625.44	J/mol×K	919.22	Calculated Property
Cp,gas	647.07	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0079988; 0.0002180]	Pa×s	[252.33; 491.52]	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			-1.22311e+01
Coefficient B			1.86790e+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.			252.33
Temperature range, max.			491.52
η	0.0079988	Pa×s	252.33	Calculated Property
η	0.0039507	Pa×s	278.91	Calculated Property
η	0.0022062	Pa×s	305.48	Calculated Property
η	0.0013524	Pa×s	332.06	Calculated Property
η	0.0008914	Pa×s	358.64	Calculated Property
η	0.0006223	Pa×s	385.21	Calculated Property
η	0.0004551	Pa×s	411.79	Calculated Property
η	0.0003457	Pa×s	438.37	Calculated Property
η	0.0002709	Pa×s	464.94	Calculated Property
η	0.0002180	Pa×s	491.52	Calculated Property

Similar Compounds

Find more compounds similar to NONANOIC ACID, 1-METHYLETHYL ESTER.

Sources

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

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