Chemical Properties of 4-Methylhexyl 2-methylbutanoate (CAS 850309-46-5)

InChI

InChI=1S/C12H24O2/c1-5-10(3)8-7-9-14-12(13)11(4)6-2/h10-11H,5-9H2,1-4H3

InChI Key

JIRUNGNWQRCSRR-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

CCC(C)CCCOC(=O)C(C)CC

Molecular Weight¹

200.32

CAS

850309-46-5

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.76; 647.61]	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			1.40250e+01
Coefficient B			1.10088e+00
Coefficient C			-5.40800e-04
Coefficient D			7.35000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.76	J/mol×K	273.00	Calculated Property
Cp,gas	339.06	J/mol×K	353.78	Calculated Property
Cp,gas	396.33	J/mol×K	434.56	Calculated Property
Cp,gas	447.78	J/mol×K	515.33	Calculated Property
Cp,gas	493.67	J/mol×K	596.11	Calculated Property
Cp,gas	534.21	J/mol×K	676.89	Calculated Property
Cp,gas	569.64	J/mol×K	757.67	Calculated Property
Cp,gas	600.20	J/mol×K	838.44	Calculated Property
Cp,gas	626.11	J/mol×K	919.22	Calculated Property
Cp,gas	647.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0130987; 0.0002028]	Pa×s	[237.33; 493.46]	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			-1.23651e+01
Coefficient B			1.90572e+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.			237.33
Temperature range, max.			493.46
η	0.0130987	Pa×s	237.33	Calculated Property
η	0.0055440	Pa×s	265.79	Calculated Property
η	0.0027711	Pa×s	294.25	Calculated Property
η	0.0015653	Pa×s	322.71	Calculated Property
η	0.0009700	Pa×s	351.17	Calculated Property
η	0.0006458	Pa×s	379.63	Calculated Property
η	0.0004550	Pa×s	408.09	Calculated Property
η	0.0003356	Pa×s	436.55	Calculated Property
η	0.0002569	Pa×s	465.00	Calculated Property
η	0.0002028	Pa×s	493.46	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methylhexyl 2-methylbutanoate.

Sources

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

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