Chemical Properties of Isophthalic acid, 2-chloro-5-methylphenyl decyl ester

InChI

InChI=1S/C25H31ClO4/c1-3-4-5-6-7-8-9-10-16-29-24(27)20-12-11-13-21(18-20)25(28)30-23-17-19(2)14-15-22(23)26/h11-15,17-18H,3-10,16H2,1-2H3

InChI Key

AYWFZGNKHHIWPP-UHFFFAOYSA-N

Formula

C25H31ClO4

SMILES

CCCCCCCCCCOC(=O)c1cccc(C(=O)Oc2cc(C)ccc2Cl)c1

Molecular Weight¹

430.96

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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 Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[475.04; 1087.42]	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			1.89590e+01
Coefficient B			1.93974e+00
Coefficient C			-1.02868e-03
Coefficient D			1.57400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	475.04	J/mol×K	273.00	Calculated Property
Cp,gas	583.42	J/mol×K	353.78	Calculated Property
Cp,gas	680.55	J/mol×K	434.56	Calculated Property
Cp,gas	766.93	J/mol×K	515.33	Calculated Property
Cp,gas	843.06	J/mol×K	596.11	Calculated Property
Cp,gas	909.44	J/mol×K	676.89	Calculated Property
Cp,gas	966.57	J/mol×K	757.67	Calculated Property
Cp,gas	1014.95	J/mol×K	838.44	Calculated Property
Cp,gas	1055.06	J/mol×K	919.22	Calculated Property
Cp,gas	1087.42	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002376; 0.0000325]	Pa×s	[576.49; 854.13]	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			-1.44650e+01
Coefficient B			3.52826e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			576.49
Temperature range, max.			854.13
η	0.0002376	Pa×s	576.49	Calculated Property
η	0.0001742	Pa×s	607.34	Calculated Property
η	0.0001315	Pa×s	638.19	Calculated Property
η	0.0001019	Pa×s	669.04	Calculated Property
η	0.0000808	Pa×s	699.88	Calculated Property
η	0.0000653	Pa×s	730.73	Calculated Property
η	0.0000537	Pa×s	761.58	Calculated Property
η	0.0000448	Pa×s	792.43	Calculated Property
η	0.0000379	Pa×s	823.28	Calculated Property
η	0.0000325	Pa×s	854.13	Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 2-chloro-5-methylphenyl decyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.