Chemical Properties of Fumaric acid, propyl 2,2,2-trichloroethyl ester

InChI

InChI=1S/C9H11Cl3O4/c1-2-5-15-7(13)3-4-8(14)16-6-9(10,11)12/h3-4H,2,5-6H2,1H3/b4-3+

InChI Key

GQQOPVNABGMTHV-ONEGZZNKSA-N

Formula

C9H11Cl3O4

SMILES

CCCOC(=O)C=CC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

289.54

• 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_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 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	[253.83; 495.56]	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			4.55430e+01
Coefficient B			9.15420e-01
Coefficient C			-5.93400e-04
Coefficient D			1.28000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	253.83	J/mol×K	273.00	Calculated Property
Cp,gas	300.80	J/mol×K	353.78	Calculated Property
Cp,gas	341.79	J/mol×K	434.56	Calculated Property
Cp,gas	377.22	J/mol×K	515.33	Calculated Property
Cp,gas	407.49	J/mol×K	596.11	Calculated Property
Cp,gas	432.99	J/mol×K	676.89	Calculated Property
Cp,gas	454.15	J/mol×K	757.67	Calculated Property
Cp,gas	471.36	J/mol×K	838.44	Calculated Property
Cp,gas	485.03	J/mol×K	919.22	Calculated Property
Cp,gas	495.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023587; 0.0001393]	Pa×s	[362.95; 590.04]	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			-1.34007e+01
Coefficient B			2.66806e+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.			362.95
Temperature range, max.			590.04
η	0.0023587	Pa×s	362.95	Calculated Property
η	0.0014627	Pa×s	388.18	Calculated Property
η	0.0009615	Pa×s	413.41	Calculated Property
η	0.0006633	Pa×s	438.65	Calculated Property
η	0.0004765	Pa×s	463.88	Calculated Property
η	0.0003542	Pa×s	489.11	Calculated Property
η	0.0002710	Pa×s	514.34	Calculated Property
η	0.0002126	Pa×s	539.57	Calculated Property
η	0.0001705	Pa×s	564.81	Calculated Property
η	0.0001393	Pa×s	590.04	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, propyl 2,2,2-trichloroethyl ester.

Sources

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

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