Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl ethyl ester

InChI

InChI=1S/C18H24O4/c1-4-21-17(19)14-7-5-6-8-15(14)18(20)22-16-11-12(2)9-10-13(16)3/h9-11,14-15H,4-8H2,1-3H3

InChI Key

BIDXSBNEBPNZMM-UHFFFAOYSA-N

Formula

C18H24O4

SMILES

CCOC(=O)C1CCCCC1C(=O)Oc1cc(C)ccc1C

Molecular Weight¹

304.39

• 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_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.28	kJ/mol	Joback Calculated Property
logPoct/wat	3.578		Crippen Calculated Property
McVol	244.740	ml/mol	McGowan Calculated Property
Inp	[2206.00; 2206.00]
Inp	2206.00		NIST
Inp	2206.00		NIST
Tboil	626.62	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, 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	[332.00; 831.31]	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			-2.76290e+01
Coefficient B			1.50196e+00
Coefficient C			-6.88920e-04
Coefficient D			4.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	332.00	J/mol×K	273.00	Calculated Property
Cp,gas	419.54	J/mol×K	353.78	Calculated Property
Cp,gas	498.73	J/mol×K	434.56	Calculated Property
Cp,gas	569.71	J/mol×K	515.33	Calculated Property
Cp,gas	632.62	J/mol×K	596.11	Calculated Property
Cp,gas	687.62	J/mol×K	676.89	Calculated Property
Cp,gas	734.84	J/mol×K	757.67	Calculated Property
Cp,gas	774.43	J/mol×K	838.44	Calculated Property
Cp,gas	806.54	J/mol×K	919.22	Calculated Property
Cp,gas	831.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010814; 0.0001086]	Pa×s	[431.88; 699.93]	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			-1.28317e+01
Coefficient B			2.59224e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			431.88
Temperature range, max.			699.93
η	0.0010814	Pa×s	431.88	Calculated Property
η	0.0007342	Pa×s	461.66	Calculated Property
η	0.0005224	Pa×s	491.45	Calculated Property
η	0.0003865	Pa×s	521.23	Calculated Property
η	0.0002954	Pa×s	551.01	Calculated Property
η	0.0002321	Pa×s	580.80	Calculated Property
η	0.0001867	Pa×s	610.58	Calculated Property
η	0.0001532	Pa×s	640.36	Calculated Property
η	0.0001280	Pa×s	670.15	Calculated Property
η	0.0001086	Pa×s	699.93	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2,5-dimethylphenyl ethyl 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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