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

InChI

InChI=1S/C24H36O4/c1-3-4-5-6-7-8-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-20-14-12-13-19(2)18-20/h12-14,18,21-22H,3-11,15-17H2,1-2H3

InChI Key

KIIJHWFOFLSFJI-UHFFFAOYSA-N

Formula

C24H36O4

SMILES

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

Molecular Weight¹

388.55

• 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°	53.21	kJ/mol	Joback Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
logPoct/wat	6.001		Crippen Calculated Property
McVol	329.280	ml/mol	McGowan Calculated Property
Inp	[2826.00; 2826.00]
Inp	2826.00		NIST
Inp	2826.00		NIST
Tboil	675.94	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	[456.73; 1143.90]	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			-4.73820e+01
Coefficient B			2.13144e+00
Coefficient C			-1.08236e-03
Coefficient D			1.42200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	456.73	J/mol×K	273.00	Calculated Property
Cp,gas	577.50	J/mol×K	353.78	Calculated Property
Cp,gas	686.12	J/mol×K	434.56	Calculated Property
Cp,gas	783.04	J/mol×K	515.33	Calculated Property
Cp,gas	868.70	J/mol×K	596.11	Calculated Property
Cp,gas	943.55	J/mol×K	676.89	Calculated Property
Cp,gas	1008.05	J/mol×K	757.67	Calculated Property
Cp,gas	1062.64	J/mol×K	838.44	Calculated Property
Cp,gas	1107.77	J/mol×K	919.22	Calculated Property
Cp,gas	1143.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006843; 0.0000553]	Pa×s	[486.98; 787.67]	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			-1.38756e+01
Coefficient B			3.20846e+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.			486.98
Temperature range, max.			787.67
η	0.0006843	Pa×s	486.98	Calculated Property
η	0.0004483	Pa×s	520.39	Calculated Property
η	0.0003090	Pa×s	553.80	Calculated Property
η	0.0002223	Pa×s	587.21	Calculated Property
η	0.0001656	Pa×s	620.62	Calculated Property
η	0.0001272	Pa×s	654.03	Calculated Property
η	0.0001002	Pa×s	687.44	Calculated Property
η	0.0000807	Pa×s	720.85	Calculated Property
η	0.0000663	Pa×s	754.26	Calculated Property
η	0.0000553	Pa×s	787.67	Calculated Property

Similar Compounds

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

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