Chemical Properties of Acetic acid, [3-hydroxy-4,4'-carbonylbis(phenyleneoxy)di-], didodecyl ester (CAS 116436-40-9)

InChI

InChI=1S/C41H62O8/c1-3-5-7-9-11-13-15-17-19-21-29-46-39(43)32-48-35-25-23-34(24-26-35)41(45)37-28-27-36(31-38(37)42)49-33-40(44)47-30-22-20-18-16-14-12-10-8-6-4-2/h23-28,31,42H,3-22,29-30,32-33H2,1-2H3

InChI Key

JIVKFMXHZGNYIX-UHFFFAOYSA-N

Formula

C41H62O8

SMILES

CCCCCCCCCCCCOC(=O)COc1ccc(C(=O)c2ccc(OCC(=O)OCCCCCCCCCCCC)cc2O)cc1

Molecular Weight¹

682.93

CAS

116436-40-9

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[847.13; 1956.08]	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			2.66640e+01
Coefficient B			3.51264e+00
Coefficient C			-1.96138e-03
Coefficient D			3.78160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	847.13	J/mol×K	273.00	Calculated Property
Cp,gas	1040.62	J/mol×K	353.78	Calculated Property
Cp,gas	1213.75	J/mol×K	434.56	Calculated Property
Cp,gas	1367.72	J/mol×K	515.33	Calculated Property
Cp,gas	1503.72	J/mol×K	596.11	Calculated Property
Cp,gas	1622.95	J/mol×K	676.89	Calculated Property
Cp,gas	1726.61	J/mol×K	757.67	Calculated Property
Cp,gas	1815.88	J/mol×K	838.44	Calculated Property
Cp,gas	1891.98	J/mol×K	919.22	Calculated Property
Cp,gas	1956.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000003; 1.2311567e-08]	Pa×s	[920.48; 1466.59]	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			-2.36116e+01
Coefficient B			7.91791e+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.			920.48
Temperature range, max.			1466.59
η	0.0000003	Pa×s	920.48	Calculated Property
η	0.0000002	Pa×s	981.16	Calculated Property
η	0.0000001	Pa×s	1041.84	Calculated Property
η	7.3211086e-08	Pa×s	1102.52	Calculated Property
η	5.0335542e-08	Pa×s	1163.19	Calculated Property
η	3.5917484e-08	Pa×s	1223.87	Calculated Property
η	2.6459648e-08	Pa×s	1284.55	Calculated Property
η	2.0037127e-08	Pa×s	1345.23	Calculated Property
η	1.5542103e-08	Pa×s	1405.91	Calculated Property
η	1.2311567e-08	Pa×s	1466.59	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, [3-hydroxy-4,4'-carbonylbis(phenyleneoxy)di-], didodecyl ester.

Sources

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

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