Chemical Properties of Fumaric acid, octyl 2,3,4,6-tetrachlorophenyl ester

InChI

InChI=1S/C18H20Cl4O4/c1-2-3-4-5-6-7-10-25-14(23)8-9-15(24)26-18-13(20)11-12(19)16(21)17(18)22/h8-9,11H,2-7,10H2,1H3/b9-8+

InChI Key

FBMUHQGBYTWMGK-CMDGGOBGSA-N

Formula

C18H20Cl4O4

SMILES

CCCCCCCCOC(=O)C=CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl

Molecular Weight¹

442.16

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[412.57; 836.00]	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			9.80170e+01
Coefficient B			1.33452e+00
Coefficient C			-6.94640e-04
Coefficient D			9.81000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	412.57	J/mol×K	273.00	Calculated Property
Cp,gas	487.54	J/mol×K	353.78	Calculated Property
Cp,gas	554.82	J/mol×K	434.56	Calculated Property
Cp,gas	614.69	J/mol×K	515.33	Calculated Property
Cp,gas	667.48	J/mol×K	596.11	Calculated Property
Cp,gas	713.49	J/mol×K	676.89	Calculated Property
Cp,gas	753.04	J/mol×K	757.67	Calculated Property
Cp,gas	786.44	J/mol×K	838.44	Calculated Property
Cp,gas	813.98	J/mol×K	919.22	Calculated Property
Cp,gas	836.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0002548; 0.0000471]	Pa×s	[568.38; 804.01]	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			-1.40363e+01
Coefficient B			3.27466e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			568.38
Temperature range, max.			804.01
η	0.0002548	Pa×s	568.38	Calculated Property
η	0.0001977	Pa×s	594.56	Calculated Property
η	0.0001567	Pa×s	620.74	Calculated Property
η	0.0001266	Pa×s	646.92	Calculated Property
η	0.0001040	Pa×s	673.10	Calculated Property
η	0.0000867	Pa×s	699.28	Calculated Property
η	0.0000732	Pa×s	725.46	Calculated Property
η	0.0000625	Pa×s	751.64	Calculated Property
η	0.0000540	Pa×s	777.82	Calculated Property
η	0.0000471	Pa×s	804.01	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, octyl 2,3,4,6-tetrachlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.