Chemical Properties of 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl pentyl ester

InChI

InChI=1S/C22H32O4/c1-4-5-10-15-25-21(23)18-12-6-7-13-19(18)22(24)26-20-14-9-8-11-17(20)16(2)3/h8-9,11,14,16,18-19H,4-7,10,12-13,15H2,1-3H3

InChI Key

ZVDRJDSQNYINOB-UHFFFAOYSA-N

Formula

C22H32O4

SMILES

CCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

360.49

• 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).
• P_c : Critical Pressure (kPa).
• 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°	44.51	kJ/mol	Joback Calculated Property
log10WS	-5.41		Relay (1.0) Calculated Property
logPoct/wat	5.255		Crippen Calculated Property
McVol	301.100	ml/mol	McGowan Calculated Property
Pc	1253.92	kPa	Joback Calculated Property
Inp	[2482.00; 2482.00]
Inp	2482.00		NIST
Inp	2482.00		NIST
Tfus	315.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, 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	[413.99; 1041.25]	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			-4.72460e+01
Coefficient B			1.94736e+00
Coefficient C			-9.76760e-04
Coefficient D			1.17900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	413.99	J/mol×K	273.00	Calculated Property
Cp,gas	524.66	J/mol×K	353.78	Calculated Property
Cp,gas	624.22	J/mol×K	434.56	Calculated Property
Cp,gas	713.03	J/mol×K	515.33	Calculated Property
Cp,gas	791.48	J/mol×K	596.11	Calculated Property
Cp,gas	859.93	J/mol×K	676.89	Calculated Property
Cp,gas	918.77	J/mol×K	757.67	Calculated Property
Cp,gas	968.35	J/mol×K	838.44	Calculated Property
Cp,gas	1009.05	J/mol×K	919.22	Calculated Property
Cp,gas	1041.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010255; 0.0000648]	Pa×s	[449.44; 756.48]	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			-1.36865e+01
Coefficient B			3.05796e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			449.44
Temperature range, max.			756.48
η	0.0010255	Pa×s	449.44	Calculated Property
η	0.0006345	Pa×s	483.56	Calculated Property
η	0.0004183	Pa×s	517.67	Calculated Property
η	0.0002903	Pa×s	551.79	Calculated Property
η	0.0002102	Pa×s	585.90	Calculated Property
η	0.0001578	Pa×s	620.02	Calculated Property
η	0.0001220	Pa×s	654.13	Calculated Property
η	0.0000967	Pa×s	688.25	Calculated Property
η	0.0000784	Pa×s	722.36	Calculated Property
η	0.0000648	Pa×s	756.48	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 2-isopropylphenyl pentyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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