Chemical Properties of Isophthalic acid, 2-chloropropyl octyl ester

InChI

InChI=1S/C19H27ClO4/c1-3-4-5-6-7-8-12-23-18(21)16-10-9-11-17(13-16)19(22)24-14-15(2)20/h9-11,13,15H,3-8,12,14H2,1-2H3

InChI Key

UEPRZLTVNDRCJD-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

CCCCCCCCOC(=O)c1cccc(C(=O)OCC(C)Cl)c1

Molecular Weight¹

354.87

• ω : Acentric Factor.
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[399.60; 903.02]	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			2.80380e+01
Coefficient B			1.57354e+00
Coefficient C			-8.08360e-04
Coefficient D			1.09800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	399.60	J/mol×K	273.00	Calculated Property
Cp,gas	488.41	J/mol×K	353.78	Calculated Property
Cp,gas	568.19	J/mol×K	434.56	Calculated Property
Cp,gas	639.29	J/mol×K	515.33	Calculated Property
Cp,gas	702.05	J/mol×K	596.11	Calculated Property
Cp,gas	756.83	J/mol×K	676.89	Calculated Property
Cp,gas	803.97	J/mol×K	757.67	Calculated Property
Cp,gas	843.81	J/mol×K	838.44	Calculated Property
Cp,gas	876.71	J/mol×K	919.22	Calculated Property
Cp,gas	903.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009458; 0.0000673]	Pa×s	[442.41; 714.54]	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			-1.39032e+01
Coefficient B			3.07022e+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.			442.41
Temperature range, max.			714.54
η	0.0009458	Pa×s	442.41	Calculated Property
η	0.0006067	Pa×s	472.65	Calculated Property
η	0.0004106	Pa×s	502.88	Calculated Property
η	0.0002904	Pa×s	533.12	Calculated Property
η	0.0002132	Pa×s	563.35	Calculated Property
η	0.0001615	Pa×s	593.59	Calculated Property
η	0.0001257	Pa×s	623.83	Calculated Property
η	0.0001001	Pa×s	654.06	Calculated Property
η	0.0000814	Pa×s	684.30	Calculated Property
η	0.0000673	Pa×s	714.54	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2-chloropropyl octyl ester.

Sources

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

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