Chemical Properties of Phthalic acid, 8-chlorooctyl heptyl ester

InChI

InChI=1S/C23H35ClO4/c1-2-3-4-8-13-18-27-22(25)20-15-10-11-16-21(20)23(26)28-19-14-9-6-5-7-12-17-24/h10-11,15-16H,2-9,12-14,17-19H2,1H3

InChI Key

UASOHBRAHBJMQY-UHFFFAOYSA-N

Formula

C23H35ClO4

SMILES

CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCl

Molecular Weight¹

410.98

• 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).
• IE : Ionization energy (eV).
• 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 for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[484.77; 1108.84]	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			2.60840e+01
Coefficient B			1.94762e+00
Coefficient C			-1.02276e-03
Coefficient D			1.57900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	484.77	J/mol×K	273.00	Calculated Property
Cp,gas	594.09	J/mol×K	353.78	Calculated Property
Cp,gas	692.25	J/mol×K	434.56	Calculated Property
Cp,gas	779.75	J/mol×K	515.33	Calculated Property
Cp,gas	857.09	J/mol×K	596.11	Calculated Property
Cp,gas	924.77	J/mol×K	676.89	Calculated Property
Cp,gas	983.28	J/mol×K	757.67	Calculated Property
Cp,gas	1033.14	J/mol×K	838.44	Calculated Property
Cp,gas	1074.82	J/mol×K	919.22	Calculated Property
Cp,gas	1108.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004836; 0.0000427]	Pa×s	[502.49; 782.26]	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			-1.44185e+01
Coefficient B			3.40904e+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.			502.49
Temperature range, max.			782.26
η	0.0004836	Pa×s	502.49	Calculated Property
η	0.0003257	Pa×s	533.58	Calculated Property
η	0.0002292	Pa×s	564.66	Calculated Property
η	0.0001672	Pa×s	595.75	Calculated Property
η	0.0001259	Pa×s	626.83	Calculated Property
η	0.0000974	Pa×s	657.92	Calculated Property
η	0.0000771	Pa×s	689.00	Calculated Property
η	0.0000623	Pa×s	720.09	Calculated Property
η	0.0000512	Pa×s	751.18	Calculated Property
η	0.0000427	Pa×s	782.26	Calculated Property

Similar Compounds

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

Sources

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

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