Chemical Properties of Phthalic acid, 8-chlorooctyl pentyl ester

InChI

InChI=1S/C21H31ClO4/c1-2-3-11-16-25-20(23)18-13-8-9-14-19(18)21(24)26-17-12-7-5-4-6-10-15-22/h8-9,13-14H,2-7,10-12,15-17H2,1H3

InChI Key

ICDVUHGHLHUBKH-UHFFFAOYSA-N

Formula

C21H31ClO4

SMILES

CCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCl

Molecular Weight¹

382.93

• 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	[442.34; 1005.66]	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			2.79020e+01
Coefficient B			1.75762e+00
Coefficient C			-9.13960e-04
Coefficient D			1.34100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	442.34	J/mol×K	273.00	Calculated Property
Cp,gas	541.26	J/mol×K	353.78	Calculated Property
Cp,gas	630.10	J/mol×K	434.56	Calculated Property
Cp,gas	709.30	J/mol×K	515.33	Calculated Property
Cp,gas	779.27	J/mol×K	596.11	Calculated Property
Cp,gas	840.45	J/mol×K	676.89	Calculated Property
Cp,gas	893.25	J/mol×K	757.67	Calculated Property
Cp,gas	938.11	J/mol×K	838.44	Calculated Property
Cp,gas	975.43	J/mol×K	919.22	Calculated Property
Cp,gas	1005.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006232; 0.0000567]	Pa×s	[479.95; 746.76]	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			-1.40912e+01
Coefficient B			3.22072e+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.			479.95
Temperature range, max.			746.76
η	0.0006232	Pa×s	479.95	Calculated Property
η	0.0004218	Pa×s	509.60	Calculated Property
η	0.0002980	Pa×s	539.24	Calculated Property
η	0.0002183	Pa×s	568.89	Calculated Property
η	0.0001649	Pa×s	598.53	Calculated Property
η	0.0001279	Pa×s	628.18	Calculated Property
η	0.0001015	Pa×s	657.83	Calculated Property
η	0.0000822	Pa×s	687.47	Calculated Property
η	0.0000677	Pa×s	717.12	Calculated Property
η	0.0000567	Pa×s	746.76	Calculated Property

Similar Compounds

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

Sources

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

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