Chemical Properties of Fumaric acid, decyl 2,3,6-trichlorophenyl ester

InChI

InChI=1S/C20H25Cl3O4/c1-2-3-4-5-6-7-8-9-14-26-17(24)12-13-18(25)27-20-16(22)11-10-15(21)19(20)23/h10-13H,2-9,14H2,1H3/b13-12+

InChI Key

UKPVUYCTLVSBPN-OUKQBFOZSA-N

Formula

C20H25Cl3O4

SMILES

CCCCCCCCCCOC(=O)C=CC(=O)Oc1c(Cl)ccc(Cl)c1Cl

Molecular Weight¹

435.77

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[439.04; 933.95]	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			6.90090e+01
Coefficient B			1.57722e+00
Coefficient C			-8.50080e-04
Coefficient D			1.37800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	439.04	J/mol×K	273.00	Calculated Property
Cp,gas	526.70	J/mol×K	353.78	Calculated Property
Cp,gas	605.18	J/mol×K	434.56	Calculated Property
Cp,gas	674.91	J/mol×K	515.33	Calculated Property
Cp,gas	736.32	J/mol×K	596.11	Calculated Property
Cp,gas	789.86	J/mol×K	676.89	Calculated Property
Cp,gas	835.96	J/mol×K	757.67	Calculated Property
Cp,gas	875.05	J/mol×K	838.44	Calculated Property
Cp,gas	907.56	J/mol×K	919.22	Calculated Property
Cp,gas	933.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002876; 0.0000416]	Pa×s	[548.48; 803.46]	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			-1.42489e+01
Coefficient B			3.34292e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			548.48
Temperature range, max.			803.46
η	0.0002876	Pa×s	548.48	Calculated Property
η	0.0002132	Pa×s	576.81	Calculated Property
η	0.0001625	Pa×s	605.14	Calculated Property
η	0.0001269	Pa×s	633.47	Calculated Property
η	0.0001013	Pa×s	661.80	Calculated Property
η	0.0000823	Pa×s	690.13	Calculated Property
η	0.0000680	Pa×s	718.47	Calculated Property
η	0.0000570	Pa×s	746.80	Calculated Property
η	0.0000484	Pa×s	775.13	Calculated Property
η	0.0000416	Pa×s	803.46	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, decyl 2,3,6-trichlorophenyl 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.