Chemical Properties of Succinic acid, 3-methoxybenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H28O5/c1-5-7-17(14(2)3)24-19(21)11-10-18(20)23-13-15-8-6-9-16(12-15)22-4/h6,8-9,12,14,17H,5,7,10-11,13H2,1-4H3

InChI Key

IHAKBJGPLUOSEU-UHFFFAOYSA-N

Formula

C19H28O5

SMILES

CCCC(OC(=O)CCC(=O)OCc1cccc(OC)c1)C(C)C

Molecular Weight¹

336.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[401.29; 913.78]	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			3.89650e+01
Coefficient B			1.50948e+00
Coefficient C			-6.80160e-04
Coefficient D			4.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	401.29	J/mol×K	273.00	Calculated Property
Cp,gas	489.87	J/mol×K	353.78	Calculated Property
Cp,gas	570.21	J/mol×K	434.56	Calculated Property
Cp,gas	642.45	J/mol×K	515.33	Calculated Property
Cp,gas	706.73	J/mol×K	596.11	Calculated Property
Cp,gas	763.19	J/mol×K	676.89	Calculated Property
Cp,gas	811.99	J/mol×K	757.67	Calculated Property
Cp,gas	853.25	J/mol×K	838.44	Calculated Property
Cp,gas	887.14	J/mol×K	919.22	Calculated Property
Cp,gas	913.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010130; 0.0000540]	Pa×s	[419.72; 702.30]	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			-1.41826e+01
Coefficient B			3.05881e+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.			419.72
Temperature range, max.			702.30
η	0.0010130	Pa×s	419.72	Calculated Property
η	0.0006100	Pa×s	451.12	Calculated Property
η	0.0003924	Pa×s	482.51	Calculated Property
η	0.0002664	Pa×s	513.91	Calculated Property
η	0.0001891	Pa×s	545.31	Calculated Property
η	0.0001393	Pa×s	576.71	Calculated Property
η	0.0001060	Pa×s	608.10	Calculated Property
η	0.0000828	Pa×s	639.50	Calculated Property
η	0.0000662	Pa×s	670.90	Calculated Property
η	0.0000540	Pa×s	702.30	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methoxybenzyl 2-methylhex-3-yl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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