Chemical Properties of Phthalic acid, 4-chloro-2-methylphenyl octyl ester

InChI

InChI=1S/C23H27ClO4/c1-3-4-5-6-7-10-15-27-22(25)19-11-8-9-12-20(19)23(26)28-21-14-13-18(24)16-17(21)2/h8-9,11-14,16H,3-7,10,15H2,1-2H3

InChI Key

FBRITOYYSWWUDQ-UHFFFAOYSA-N

Formula

C23H27ClO4

SMILES

CCCCCCCCOC(=O)c1ccccc1C(=O)Oc1ccc(Cl)cc1C

Molecular Weight¹

402.91

• 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	[432.62; 984.24]	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			2.07770e+01
Coefficient B			1.74974e+00
Coefficient C			-9.19880e-04
Coefficient D			1.33600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	432.62	J/mol×K	273.00	Calculated Property
Cp,gas	530.58	J/mol×K	353.78	Calculated Property
Cp,gas	618.39	J/mol×K	434.56	Calculated Property
Cp,gas	696.47	J/mol×K	515.33	Calculated Property
Cp,gas	765.24	J/mol×K	596.11	Calculated Property
Cp,gas	825.12	J/mol×K	676.89	Calculated Property
Cp,gas	876.54	J/mol×K	757.67	Calculated Property
Cp,gas	919.92	J/mol×K	838.44	Calculated Property
Cp,gas	955.68	J/mol×K	919.22	Calculated Property
Cp,gas	984.24	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003020; 0.0000427]	Pa×s	[553.95; 819.93]	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			-1.41343e+01
Coefficient B			3.33994e+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.			553.95
Temperature range, max.			819.93
η	0.0003020	Pa×s	553.95	Calculated Property
η	0.0002226	Pa×s	583.50	Calculated Property
η	0.0001689	Pa×s	613.06	Calculated Property
η	0.0001315	Pa×s	642.61	Calculated Property
η	0.0001046	Pa×s	672.17	Calculated Property
η	0.0000849	Pa×s	701.72	Calculated Property
η	0.0000700	Pa×s	731.27	Calculated Property
η	0.0000586	Pa×s	760.83	Calculated Property
η	0.0000497	Pa×s	790.38	Calculated Property
η	0.0000427	Pa×s	819.93	Calculated Property

Similar Compounds

Find more compounds similar to Phthalic acid, 4-chloro-2-methylphenyl octyl ester.

Sources

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

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