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

InChI

InChI=1S/C20H28O4/c1-3-4-7-13-23-19(21)17-11-5-6-12-18(17)20(22)24-16-10-8-9-15(2)14-16/h8-10,14,17-18H,3-7,11-13H2,1-2H3

InChI Key

CUROEOYOEUTLPP-UHFFFAOYSA-N

Formula

C20H28O4

SMILES

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

Molecular Weight¹

332.44

• 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).
• 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°	42.85	kJ/mol	Joback Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-5.14		Relay (1.0) Calculated Property
logPoct/wat	4.440		Crippen Calculated Property
McVol	272.920	ml/mol	McGowan Calculated Property
Inp	[2422.00; 2422.00]
Inp	2422.00		NIST
Inp	2422.00		NIST
Tboil	647.11	K	Relay (1.0) Calculated Property
Tfus	309.36	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 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	[371.87; 937.53]	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			-4.37460e+01
Coefficient B			1.75144e+00
Coefficient C			-8.64760e-04
Coefficient D			9.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	371.87	J/mol×K	273.00	Calculated Property
Cp,gas	471.83	J/mol×K	353.78	Calculated Property
Cp,gas	561.81	J/mol×K	434.56	Calculated Property
Cp,gas	642.12	J/mol×K	515.33	Calculated Property
Cp,gas	713.05	J/mol×K	596.11	Calculated Property
Cp,gas	774.91	J/mol×K	676.89	Calculated Property
Cp,gas	827.98	J/mol×K	757.67	Calculated Property
Cp,gas	872.58	J/mol×K	838.44	Calculated Property
Cp,gas	909.00	J/mol×K	919.22	Calculated Property
Cp,gas	937.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010838; 0.0000889]	Pa×s	[441.90; 724.68]	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			-1.32355e+01
Coefficient B			2.83182e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			441.90
Temperature range, max.			724.68
η	0.0010838	Pa×s	441.90	Calculated Property
η	0.0007083	Pa×s	473.32	Calculated Property
η	0.0004881	Pa×s	504.74	Calculated Property
η	0.0003513	Pa×s	536.16	Calculated Property
η	0.0002622	Pa×s	567.58	Calculated Property
η	0.0002019	Pa×s	599.00	Calculated Property
η	0.0001595	Pa×s	630.42	Calculated Property
η	0.0001289	Pa×s	661.84	Calculated Property
η	0.0001061	Pa×s	693.26	Calculated Property
η	0.0000889	Pa×s	724.68	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 3-methylphenyl pentyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.