Chemical Properties of Phthalic acid, 8-chlorooctyl propyl ester

InChI

InChI=1S/C19H27ClO4/c1-2-14-23-18(21)16-11-7-8-12-17(16)19(22)24-15-10-6-4-3-5-9-13-20/h7-8,11-12H,2-6,9-10,13-15H2,1H3

InChI Key

VYICFCVUUWAKIC-UHFFFAOYSA-N

Formula

C19H27ClO4

SMILES

CCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCl

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	[399.92; 902.48]	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			2.97200e+01
Coefficient B			1.56762e+00
Coefficient C			-8.05160e-04
Coefficient D			1.10300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	399.92	J/mol×K	273.00	Calculated Property
Cp,gas	488.42	J/mol×K	353.78	Calculated Property
Cp,gas	567.94	J/mol×K	434.56	Calculated Property
Cp,gas	638.84	J/mol×K	515.33	Calculated Property
Cp,gas	701.45	J/mol×K	596.11	Calculated Property
Cp,gas	756.13	J/mol×K	676.89	Calculated Property
Cp,gas	803.22	J/mol×K	757.67	Calculated Property
Cp,gas	843.08	J/mol×K	838.44	Calculated Property
Cp,gas	876.05	J/mol×K	919.22	Calculated Property
Cp,gas	902.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007930; 0.0000735]	Pa×s	[457.41; 713.43]	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			-1.37692e+01
Coefficient B			3.03240e+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.			457.41
Temperature range, max.			713.43
η	0.0007930	Pa×s	457.41	Calculated Property
η	0.0005379	Pa×s	485.86	Calculated Property
η	0.0003809	Pa×s	514.30	Calculated Property
η	0.0002796	Pa×s	542.75	Calculated Property
η	0.0002117	Pa×s	571.20	Calculated Property
η	0.0001646	Pa×s	599.64	Calculated Property
η	0.0001309	Pa×s	628.09	Calculated Property
η	0.0001062	Pa×s	656.54	Calculated Property
η	0.0000876	Pa×s	684.98	Calculated Property
η	0.0000735	Pa×s	713.43	Calculated Property

Similar Compounds

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

Sources

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

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