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

InChI

InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-16-21-31-27(29)24-18-12-13-19-25(24)28(30)32-26-20-15-14-17-23(26)22(2)3/h14-15,17,20,22,24-25H,4-13,16,18-19,21H2,1-3H3

InChI Key

VUHYXHMIUVGZJF-UHFFFAOYSA-N

Formula

C28H44O4

SMILES

CCCCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1ccccc1C(C)C

Molecular Weight¹

444.66

• 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°	60.05	kJ/mol	Joback Calculated Property
log10WS	-7.15		Relay (1.0) Calculated Property
logPoct/wat	7.596		Crippen Calculated Property
McVol	385.640	ml/mol	McGowan Calculated Property
Pc	865.05	kPa	Joback Calculated Property
Inp	[3115.00; 3115.00]
Inp	3115.00		NIST
Inp	3115.00		NIST
Tboil	683.72	K	Relay (1.0) Calculated Property
Tfus	321.53	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	[541.27; 1350.80]	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			-5.27000e+01
Coefficient B			2.51736e+00
Coefficient C			-1.30316e-03
Coefficient D			1.89300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	541.27	J/mol×K	273.00	Calculated Property
Cp,gas	683.17	J/mol×K	353.78	Calculated Property
Cp,gas	810.68	J/mol×K	434.56	Calculated Property
Cp,gas	924.41	J/mol×K	515.33	Calculated Property
Cp,gas	1024.95	J/mol×K	596.11	Calculated Property
Cp,gas	1112.90	J/mol×K	676.89	Calculated Property
Cp,gas	1188.86	J/mol×K	757.67	Calculated Property
Cp,gas	1253.44	J/mol×K	838.44	Calculated Property
Cp,gas	1307.21	J/mol×K	919.22	Calculated Property
Cp,gas	1350.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004695; 0.0000288]	Pa×s	[517.06; 859.55]	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			-1.46707e+01
Coefficient B			3.62292e+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.			517.06
Temperature range, max.			859.55
η	0.0004695	Pa×s	517.06	Calculated Property
η	0.0002904	Pa×s	555.11	Calculated Property
η	0.0001911	Pa×s	593.17	Calculated Property
η	0.0001322	Pa×s	631.22	Calculated Property
η	0.0000954	Pa×s	669.28	Calculated Property
η	0.0000713	Pa×s	707.33	Calculated Property
η	0.0000549	Pa×s	745.39	Calculated Property
η	0.0000433	Pa×s	783.44	Calculated Property
η	0.0000350	Pa×s	821.50	Calculated Property
η	0.0000288	Pa×s	859.55	Calculated Property

Similar Compounds

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

Sources

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

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