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

InChI

InChI=1S/C16H25Cl3O4/c1-2-3-4-5-6-7-8-9-12-22-14(20)10-11-15(21)23-13-16(17,18)19/h10-11H,2-9,12-13H2,1H3/b11-10+

InChI Key

KZHVAYZESXTNDB-ZHACJKMWSA-N

Formula

C16H25Cl3O4

SMILES

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

Molecular Weight¹

387.73

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[402.33; 856.70]	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			3.91800e+01
Coefficient B			1.58042e+00
Coefficient C			-9.74200e-04
Coefficient D			2.11300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	402.33	J/mol×K	273.00	Calculated Property
Cp,gas	485.72	J/mol×K	353.78	Calculated Property
Cp,gas	559.33	J/mol×K	434.56	Calculated Property
Cp,gas	623.82	J/mol×K	515.33	Calculated Property
Cp,gas	679.86	J/mol×K	596.11	Calculated Property
Cp,gas	728.12	J/mol×K	676.89	Calculated Property
Cp,gas	769.27	J/mol×K	757.67	Calculated Property
Cp,gas	803.97	J/mol×K	838.44	Calculated Property
Cp,gas	832.89	J/mol×K	919.22	Calculated Property
Cp,gas	856.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009383; 0.0000610]	Pa×s	[441.84; 693.67]	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			-1.45017e+01
Coefficient B			3.32718e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			441.84
Temperature range, max.			693.67
η	0.0009383	Pa×s	441.84	Calculated Property
η	0.0005992	Pa×s	469.82	Calculated Property
η	0.0004024	Pa×s	497.80	Calculated Property
η	0.0002820	Pa×s	525.78	Calculated Property
η	0.0002048	Pa×s	553.76	Calculated Property
η	0.0001534	Pa×s	581.75	Calculated Property
η	0.0001180	Pa×s	609.73	Calculated Property
η	0.0000929	Pa×s	637.71	Calculated Property
η	0.0000746	Pa×s	665.69	Calculated Property
η	0.0000610	Pa×s	693.67	Calculated Property

Similar Compounds

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