Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl undecyl ester

InChI

InChI=1S/C26H40O4/c1-3-4-5-6-7-8-9-10-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-22-16-14-15-21(2)20-22/h14-16,20,23-24H,3-13,17-19H2,1-2H3

InChI Key

DXAVRBYCRMVMPK-UHFFFAOYSA-N

Formula

C26H40O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1cccc(C)c1

Molecular Weight¹

416.60

• 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).
• IE : Ionization energy (eV).
• 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

Property	Value	Unit	Source
ΔfusH°	58.39	kJ/mol	Joback Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
logPoct/wat	6.781		Crippen Calculated Property
McVol	357.460	ml/mol	McGowan Calculated Property
Inp	[3041.00; 3041.00]
Inp	3041.00		NIST
Inp	3041.00		NIST
Tboil	689.28	K	Relay (1.0) Calculated Property

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, 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	[499.15; 1247.08]	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			-4.92000e+01
Coefficient B			2.32144e+00
Coefficient C			-1.19116e-03
Coefficient D			1.66000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	499.15	J/mol×K	273.00	Calculated Property
Cp,gas	630.34	J/mol×K	353.78	Calculated Property
Cp,gas	748.28	J/mol×K	434.56	Calculated Property
Cp,gas	853.50	J/mol×K	515.33	Calculated Property
Cp,gas	946.52	J/mol×K	596.11	Calculated Property
Cp,gas	1027.88	J/mol×K	676.89	Calculated Property
Cp,gas	1098.08	J/mol×K	757.67	Calculated Property
Cp,gas	1157.67	J/mol×K	838.44	Calculated Property
Cp,gas	1207.16	J/mol×K	919.22	Calculated Property
Cp,gas	1247.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005329; 0.0000422]	Pa×s	[509.52; 822.43]	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			-1.42039e+01
Coefficient B			3.39678e+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.			509.52
Temperature range, max.			822.43
η	0.0005329	Pa×s	509.52	Calculated Property
η	0.0003481	Pa×s	544.29	Calculated Property
η	0.0002393	Pa×s	579.06	Calculated Property
η	0.0001716	Pa×s	613.82	Calculated Property
η	0.0001276	Pa×s	648.59	Calculated Property
η	0.0000977	Pa×s	683.36	Calculated Property
η	0.0000768	Pa×s	718.13	Calculated Property
η	0.0000618	Pa×s	752.89	Calculated Property
η	0.0000506	Pa×s	787.66	Calculated Property
η	0.0000422	Pa×s	822.43	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl undecyl 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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