Chemical Properties of Methyl hexanoate, 3-acetoxy

InChI

InChI=1S/C9H16O4/c1-4-5-8(13-7(2)10)6-9(11)12-3/h8H,4-6H2,1-3H3

InChI Key

ODICPWSNEYHYSJ-UHFFFAOYSA-N

Formula

C9H16O4

SMILES

CCCC(CC(=O)OC)OC(C)=O

Molecular Weight¹

188.22

• 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	[228.77; 500.40]	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			4.38430e+01
Coefficient B			7.55160e-01
Coefficient C			-2.79800e-04
Coefficient D			-1.88000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.77	J/mol×K	273.00	Calculated Property
Cp,gas	275.15	J/mol×K	353.78	Calculated Property
Cp,gas	317.62	J/mol×K	434.56	Calculated Property
Cp,gas	356.12	J/mol×K	515.33	Calculated Property
Cp,gas	390.59	J/mol×K	596.11	Calculated Property
Cp,gas	420.97	J/mol×K	676.89	Calculated Property
Cp,gas	447.20	J/mol×K	757.67	Calculated Property
Cp,gas	469.23	J/mol×K	838.44	Calculated Property
Cp,gas	486.98	J/mol×K	919.22	Calculated Property
Cp,gas	500.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0075106; 0.0002158]	Pa×s	[260.85; 491.06]	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			-1.24634e+01
Coefficient B			1.97514e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			260.85
Temperature range, max.			491.06
η	0.0075106	Pa×s	260.85	Calculated Property
η	0.0038195	Pa×s	286.43	Calculated Property
η	0.0021702	Pa×s	312.01	Calculated Property
η	0.0013433	Pa×s	337.59	Calculated Property
η	0.0008896	Pa×s	363.17	Calculated Property
η	0.0006220	Pa×s	388.74	Calculated Property
η	0.0004545	Pa×s	414.32	Calculated Property
η	0.0003445	Pa×s	439.90	Calculated Property
η	0.0002692	Pa×s	465.48	Calculated Property
η	0.0002158	Pa×s	491.06	Calculated Property

Similar Compounds

Find more compounds similar to Methyl hexanoate, 3-acetoxy.

Sources

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

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