Chemical Properties of Succinic acid, cyclohexylmethyl 2-methoxy-5-methylphenyl ester

InChI

InChI=1S/C19H26O5/c1-14-8-9-16(22-2)17(12-14)24-19(21)11-10-18(20)23-13-15-6-4-3-5-7-15/h8-9,12,15H,3-7,10-11,13H2,1-2H3

InChI Key

VJAGGLKAAYAABN-UHFFFAOYSA-N

Formula

C19H26O5

SMILES

COc1ccc(C)cc1OC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

334.41

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[366.35; 894.74]	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			-8.97700e+00
Coefficient B			1.56024e+00
Coefficient C			-6.87720e-04
Coefficient D			3.12000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	366.35	J/mol×K	273.00	Calculated Property
Cp,gas	458.31	J/mol×K	353.78	Calculated Property
Cp,gas	541.73	J/mol×K	434.56	Calculated Property
Cp,gas	616.70	J/mol×K	515.33	Calculated Property
Cp,gas	683.33	J/mol×K	596.11	Calculated Property
Cp,gas	741.71	J/mol×K	676.89	Calculated Property
Cp,gas	791.94	J/mol×K	757.67	Calculated Property
Cp,gas	834.13	J/mol×K	838.44	Calculated Property
Cp,gas	868.36	J/mol×K	919.22	Calculated Property
Cp,gas	894.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006466; 0.0000626]	Pa×s	[469.62; 732.28]	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			-1.38516e+01
Coefficient B			3.05618e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			469.62
Temperature range, max.			732.28
η	0.0006466	Pa×s	469.62	Calculated Property
η	0.0004418	Pa×s	498.80	Calculated Property
η	0.0003149	Pa×s	527.99	Calculated Property
η	0.0002325	Pa×s	557.17	Calculated Property
η	0.0001770	Pa×s	586.36	Calculated Property
η	0.0001382	Pa×s	615.54	Calculated Property
η	0.0001104	Pa×s	644.73	Calculated Property
η	0.0000899	Pa×s	673.91	Calculated Property
η	0.0000745	Pa×s	703.09	Calculated Property
η	0.0000626	Pa×s	732.28	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 2-methoxy-5-methylphenyl 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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