Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl nonyl ester

InChI

InChI=1S/C24H36O5/c1-3-4-5-6-7-8-11-18-28-23(25)21-12-9-10-13-22(21)24(26)29-20-16-14-19(27-2)15-17-20/h14-17,21-22H,3-13,18H2,1-2H3

InChI Key

DPZOHMJPAVZHIJ-UHFFFAOYSA-N

Formula

C24H36O5

SMILES

CCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccc(OC)cc1

Molecular Weight¹

404.54

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	54.40	kJ/mol	Joback Calculated Property
logPoct/wat	5.701		Crippen Calculated Property
McVol	335.150	ml/mol	McGowan Calculated Property
Inp	[3013.00; 3013.00]
Inp	3013.00		NIST
Inp	3013.00		NIST
Tfus	336.49	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[472.13; 1162.40]	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			-2.18820e+01
Coefficient B			2.06824e+00
Coefficient C			-9.71360e-04
Coefficient D			8.74000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	472.13	J/mol×K	273.00	Calculated Property
Cp,gas	592.11	J/mol×K	353.78	Calculated Property
Cp,gas	700.63	J/mol×K	434.56	Calculated Property
Cp,gas	797.95	J/mol×K	515.33	Calculated Property
Cp,gas	884.36	J/mol×K	596.11	Calculated Property
Cp,gas	960.14	J/mol×K	676.89	Calculated Property
Cp,gas	1025.55	J/mol×K	757.67	Calculated Property
Cp,gas	1080.88	J/mol×K	838.44	Calculated Property
Cp,gas	1126.41	J/mol×K	919.22	Calculated Property
Cp,gas	1162.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004617; 0.0000418]	Pa×s	[509.21; 804.61]	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			-1.42212e+01
Coefficient B			3.33055e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			509.21
Temperature range, max.			804.61
η	0.0004617	Pa×s	509.21	Calculated Property
η	0.0003107	Pa×s	542.03	Calculated Property
η	0.0002188	Pa×s	574.85	Calculated Property
η	0.0001600	Pa×s	607.68	Calculated Property
η	0.0001208	Pa×s	640.50	Calculated Property
η	0.0000938	Pa×s	673.32	Calculated Property
η	0.0000745	Pa×s	706.14	Calculated Property
η	0.0000604	Pa×s	738.97	Calculated Property
η	0.0000499	Pa×s	771.79	Calculated Property
η	0.0000418	Pa×s	804.61	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-methoxyphenyl nonyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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