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

InChI

InChI=1S/C18H31Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-14-24-16(22)12-13-17(23)25-15-18(19,20)21/h2-15H2,1H3

InChI Key

BBLDVAZHTUMKSA-UHFFFAOYSA-N

Formula

C18H31Cl3O4

SMILES

CCCCCCCCCCCCOC(=O)CCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

417.80

• 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	[458.76; 990.46]	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			5.15440e+01
Coefficient B			1.75042e+00
Coefficient C			-9.99200e-04
Coefficient D			1.87700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	458.76	J/mol×K	273.00	Calculated Property
Cp,gas	554.06	J/mol×K	353.78	Calculated Property
Cp,gas	638.91	J/mol×K	434.56	Calculated Property
Cp,gas	713.93	J/mol×K	515.33	Calculated Property
Cp,gas	779.68	J/mol×K	596.11	Calculated Property
Cp,gas	836.78	J/mol×K	676.89	Calculated Property
Cp,gas	885.82	J/mol×K	757.67	Calculated Property
Cp,gas	927.38	J/mol×K	838.44	Calculated Property
Cp,gas	962.06	J/mol×K	919.22	Calculated Property
Cp,gas	990.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007466; 0.0000536]	Pa×s	[469.46; 721.51]	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			-1.47390e+01
Coefficient B			3.53926e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			469.46
Temperature range, max.			721.51
η	0.0007466	Pa×s	469.46	Calculated Property
η	0.0004884	Pa×s	497.47	Calculated Property
η	0.0003343	Pa×s	525.47	Calculated Property
η	0.0002377	Pa×s	553.48	Calculated Property
η	0.0001747	Pa×s	581.48	Calculated Property
η	0.0001321	Pa×s	609.49	Calculated Property
η	0.0001023	Pa×s	637.49	Calculated Property
η	0.0000810	Pa×s	665.50	Calculated Property
η	0.0000654	Pa×s	693.50	Calculated Property
η	0.0000536	Pa×s	721.51	Calculated Property

Similar Compounds

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

Sources

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

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