Chemical Properties of Succinic acid, octyl 2,2,2-trichloroethyl ester

InChI

InChI=1S/C14H23Cl3O4/c1-2-3-4-5-6-7-10-20-12(18)8-9-13(19)21-11-14(15,16)17/h2-11H2,1H3

InChI Key

WZMILCOCAUGKFO-UHFFFAOYSA-N

Formula

C14H23Cl3O4

SMILES

CCCCCCCCOC(=O)CCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

361.69

• 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	[373.90; 784.10]	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			5.51800e+01
Coefficient B			1.37042e+00
Coefficient C			-7.81600e-04
Coefficient D			1.40100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	373.90	J/mol×K	273.00	Calculated Property
Cp,gas	448.38	J/mol×K	353.78	Calculated Property
Cp,gas	514.60	J/mol×K	434.56	Calculated Property
Cp,gas	573.01	J/mol×K	515.33	Calculated Property
Cp,gas	624.04	J/mol×K	596.11	Calculated Property
Cp,gas	668.14	J/mol×K	676.89	Calculated Property
Cp,gas	705.75	J/mol×K	757.67	Calculated Property
Cp,gas	737.32	J/mol×K	838.44	Calculated Property
Cp,gas	763.29	J/mol×K	919.22	Calculated Property
Cp,gas	784.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013137; 0.0000948]	Pa×s	[424.38; 655.70]	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			-1.40872e+01
Coefficient B			3.16262e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			424.38
Temperature range, max.			655.70
η	0.0013137	Pa×s	424.38	Calculated Property
η	0.0008584	Pa×s	450.08	Calculated Property
η	0.0005873	Pa×s	475.78	Calculated Property
η	0.0004177	Pa×s	501.49	Calculated Property
η	0.0003071	Pa×s	527.19	Calculated Property
η	0.0002324	Pa×s	552.89	Calculated Property
η	0.0001803	Pa×s	578.59	Calculated Property
η	0.0001429	Pa×s	604.30	Calculated Property
η	0.0001154	Pa×s	630.00	Calculated Property
η	0.0000948	Pa×s	655.70	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, octyl 2,2,2-trichloroethyl ester.

Sources

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

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