Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl undecyl ester

InChI

InChI=1S/C26H48O5/c1-4-5-6-7-8-9-10-11-14-19-30-25(27)23-15-12-13-16-24(23)26(28)31-21-18-22(2)17-20-29-3/h22-24H,4-21H2,1-3H3

InChI Key

WHCYEAZBSAJJNU-UHFFFAOYSA-N

Formula

C26H48O5

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)OCCC(C)CCOC

Molecular Weight¹

440.66

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	62.40	kJ/mol	Joback Calculated Property
log10WS	-5.97		Relay (1.0) Calculated Property
logPoct/wat	6.473		Crippen Calculated Property
McVol	387.090	ml/mol	McGowan Calculated Property
Inp	[2973.00; 2973.00]
Inp	2973.00		NIST
Inp	2973.00		NIST
Tboil	673.04	K	Relay (1.0) Calculated Property
Tfus	288.79	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 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	[568.95; 1387.68]	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			-5.77600e+00
Coefficient B			2.40256e+00
Coefficient C			-1.11920e-03
Coefficient D			1.10100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	568.95	J/mol×K	273.00	Calculated Property
Cp,gas	708.99	J/mol×K	353.78	Calculated Property
Cp,gas	835.96	J/mol×K	434.56	Calculated Property
Cp,gas	950.19	J/mol×K	515.33	Calculated Property
Cp,gas	1052.03	J/mol×K	596.11	Calculated Property
Cp,gas	1141.84	J/mol×K	676.89	Calculated Property
Cp,gas	1219.96	J/mol×K	757.67	Calculated Property
Cp,gas	1286.75	J/mol×K	838.44	Calculated Property
Cp,gas	1342.54	J/mol×K	919.22	Calculated Property
Cp,gas	1387.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006133; 0.0000281]	Pa×s	[477.81; 812.57]	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			-1.48777e+01
Coefficient B			3.57453e+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.			477.81
Temperature range, max.			812.57
η	0.0006133	Pa×s	477.81	Calculated Property
η	0.0003573	Pa×s	515.01	Calculated Property
η	0.0002239	Pa×s	552.20	Calculated Property
η	0.0001488	Pa×s	589.40	Calculated Property
η	0.0001038	Pa×s	626.59	Calculated Property
η	0.0000754	Pa×s	663.79	Calculated Property
η	0.0000567	Pa×s	700.99	Calculated Property
η	0.0000438	Pa×s	738.18	Calculated Property
η	0.0000347	Pa×s	775.38	Calculated Property
η	0.0000281	Pa×s	812.57	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 5-methoxy-3-methylpentyl 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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