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

InChI

InChI=1S/C29H46O4/c1-4-5-6-7-8-9-10-11-12-17-22-32-28(30)25-19-13-14-20-26(25)29(31)33-27-21-16-15-18-24(27)23(2)3/h15-16,18,21,23,25-26H,4-14,17,19-20,22H2,1-3H3

InChI Key

YFYCMVQWJDPEIK-UHFFFAOYSA-N

Formula

C29H46O4

SMILES

CCCCCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

458.68

• 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_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°	62.64	kJ/mol	Joback Calculated Property
log10WS	-7.43		Relay (1.0) Calculated Property
logPoct/wat	7.986		Crippen Calculated Property
McVol	399.730	ml/mol	McGowan Calculated Property
Pc	818.20	kPa	Joback Calculated Property
Inp	[3216.00; 3216.00]
Inp	3216.00		NIST
Inp	3216.00		NIST
Tboil	690.33	K	Relay (1.0) Calculated Property
Tfus	322.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[562.48; 1402.39]	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			-5.36090e+01
Coefficient B			2.61236e+00
Coefficient C			-1.35756e-03
Coefficient D			2.01200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	562.48	J/mol×K	273.00	Calculated Property
Cp,gas	709.58	J/mol×K	353.78	Calculated Property
Cp,gas	841.76	J/mol×K	434.56	Calculated Property
Cp,gas	959.64	J/mol×K	515.33	Calculated Property
Cp,gas	1063.86	J/mol×K	596.11	Calculated Property
Cp,gas	1155.06	J/mol×K	676.89	Calculated Property
Cp,gas	1233.88	J/mol×K	757.67	Calculated Property
Cp,gas	1300.95	J/mol×K	838.44	Calculated Property
Cp,gas	1356.91	J/mol×K	919.22	Calculated Property
Cp,gas	1402.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004085; 0.0000247]	Pa×s	[528.33; 879.03]	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			-1.48386e+01
Coefficient B			3.71708e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			528.33
Temperature range, max.			879.03
η	0.0004085	Pa×s	528.33	Calculated Property
η	0.0002519	Pa×s	567.30	Calculated Property
η	0.0001653	Pa×s	606.26	Calculated Property
η	0.0001142	Pa×s	645.23	Calculated Property
η	0.0000822	Pa×s	684.20	Calculated Property
η	0.0000614	Pa×s	723.16	Calculated Property
η	0.0000472	Pa×s	762.13	Calculated Property
η	0.0000372	Pa×s	801.09	Calculated Property
η	0.0000300	Pa×s	840.06	Calculated Property
η	0.0000247	Pa×s	879.03	Calculated Property

Similar Compounds

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

Sources

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

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