Chemical Properties of Phthalic acid, 8-chlorooctyl isobutyl ester

InChI

InChI=1S/C20H29ClO4/c1-16(2)15-25-20(23)18-12-8-7-11-17(18)19(22)24-14-10-6-4-3-5-9-13-21/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3

InChI Key

OGEQFNNCHBTSMF-UHFFFAOYSA-N

Formula

C20H29ClO4

SMILES

CC(C)COC(=O)c1ccccc1C(=O)OCCCCCCCCCl

Molecular Weight¹

368.89

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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

Cheméo can also estimate Critical Temperature, Critical Volume, 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	[420.82; 954.61]	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			2.71290e+01
Coefficient B			1.66854e+00
Coefficient C			-8.62760e-04
Coefficient D			1.21700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	420.82	J/mol×K	273.00	Calculated Property
Cp,gas	514.83	J/mol×K	353.78	Calculated Property
Cp,gas	599.27	J/mol×K	434.56	Calculated Property
Cp,gas	674.52	J/mol×K	515.33	Calculated Property
Cp,gas	740.96	J/mol×K	596.11	Calculated Property
Cp,gas	798.99	J/mol×K	676.89	Calculated Property
Cp,gas	848.98	J/mol×K	757.67	Calculated Property
Cp,gas	891.33	J/mol×K	838.44	Calculated Property
Cp,gas	926.41	J/mol×K	919.22	Calculated Property
Cp,gas	954.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008346; 0.0000593]	Pa×s	[453.68; 730.73]	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			-1.40635e+01
Coefficient B			3.16438e+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.			453.68
Temperature range, max.			730.73
η	0.0008346	Pa×s	453.68	Calculated Property
η	0.0005358	Pa×s	484.46	Calculated Property
η	0.0003627	Pa×s	515.25	Calculated Property
η	0.0002565	Pa×s	546.03	Calculated Property
η	0.0001883	Pa×s	576.81	Calculated Property
η	0.0001426	Pa×s	607.60	Calculated Property
η	0.0001109	Pa×s	638.38	Calculated Property
η	0.0000883	Pa×s	669.16	Calculated Property
η	0.0000717	Pa×s	699.95	Calculated Property
η	0.0000593	Pa×s	730.73	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 8-chlorooctyl isobutyl ester.

Sources

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

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