Chemical Properties of Octanoic acid, 4,6-dimethyl-, methyl ester, (4S,6S)-(+)-

InChI

InChI=1S/C11H22O2/c1-5-9(2)8-10(3)6-7-11(12)13-4/h9-10H,5-8H2,1-4H3/t9-,10-/m0/s1

InChI Key

BGVRQMVRIJKKDZ-NXEZZACHSA-N

Formula

C11H22O2

SMILES

CC[C@H](C)C[C@@H](C)CCC(=O)OC

Molecular Weight¹

186.30

Other Names

• Methyl 4,6-dimethyloctanoate

• 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).
• 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	[254.54; 596.01]	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			1.49340e+01
Coefficient B			1.00588e+00
Coefficient C			-4.86400e-04
Coefficient D			6.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.54	J/mol×K	273.00	Calculated Property
Cp,gas	312.64	J/mol×K	353.78	Calculated Property
Cp,gas	365.25	J/mol×K	434.56	Calculated Property
Cp,gas	412.56	J/mol×K	515.33	Calculated Property
Cp,gas	454.76	J/mol×K	596.11	Calculated Property
Cp,gas	492.05	J/mol×K	676.89	Calculated Property
Cp,gas	524.63	J/mol×K	757.67	Calculated Property
Cp,gas	552.68	J/mol×K	838.44	Calculated Property
Cp,gas	576.41	J/mol×K	919.22	Calculated Property
Cp,gas	596.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0146247; 0.0002134]	Pa×s	[226.06; 478.46]	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			-1.22387e+01
Coefficient B			1.81156e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			226.06
Temperature range, max.			478.46
η	0.0146247	Pa×s	226.06	Calculated Property
η	0.0060392	Pa×s	254.10	Calculated Property
η	0.0029733	Pa×s	282.15	Calculated Property
η	0.0016639	Pa×s	310.19	Calculated Property
η	0.0010253	Pa×s	338.24	Calculated Property
η	0.0006804	Pa×s	366.28	Calculated Property
η	0.0004786	Pa×s	394.33	Calculated Property
η	0.0003528	Pa×s	422.37	Calculated Property
η	0.0002701	Pa×s	450.42	Calculated Property
η	0.0002134	Pa×s	478.46	Calculated Property

Similar Compounds

Find more compounds similar to Octanoic acid, 4,6-dimethyl-, methyl ester, (4S,6S)-(+)-.

Sources

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

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