Chemical Properties of Succinic acid, di(2,2,2-trichloroethyl) ester

InChI

InChI=1S/C8H8Cl6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-4H2

InChI Key

KUKFKXHVFOUECA-UHFFFAOYSA-N

Formula

C8H8Cl6O4

SMILES

O=C(CCC(=O)OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl

Molecular Weight¹

380.87

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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

Property	Value	Unit	Source
ΔfusH°	35.57	kJ/mol	Joback Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	3.593		Crippen Calculated Property
McVol	211.900	ml/mol	McGowan Calculated Property
Pc	2143.35	kPa	Joback Calculated Property
Inp	[1997.00; 1997.00]
Inp	1997.00		NIST
Inp	1997.00		NIST
Tboil	569.88	K	Relay (1.0) Calculated Property
Tc	797.92	K	Relay (1.0) Calculated Property
Tfus	407.74	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[285.38; 500.83]	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			7.48340e+01
Coefficient B			9.46600e-01
Coefficient C			-6.88200e-04
Coefficient D			1.67600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	285.38	J/mol×K	273.00	Calculated Property
Cp,gas	331.01	J/mol×K	353.78	Calculated Property
Cp,gas	369.98	J/mol×K	434.56	Calculated Property
Cp,gas	402.82	J/mol×K	515.33	Calculated Property
Cp,gas	430.06	J/mol×K	596.11	Calculated Property
Cp,gas	452.24	J/mol×K	676.89	Calculated Property
Cp,gas	469.87	J/mol×K	757.67	Calculated Property
Cp,gas	483.49	J/mol×K	838.44	Calculated Property
Cp,gas	493.64	J/mol×K	919.22	Calculated Property
Cp,gas	500.83	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011242; 0.0001041]	Pa×s	[448.94; 658.92]	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			-1.42576e+01
Coefficient B			3.35216e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			448.94
Temperature range, max.			658.92
η	0.0011242	Pa×s	448.94	Calculated Property
η	0.0007774	Pa×s	472.27	Calculated Property
η	0.0005566	Pa×s	495.60	Calculated Property
η	0.0004106	Pa×s	518.93	Calculated Property
η	0.0003110	Pa×s	542.27	Calculated Property
η	0.0002410	Pa×s	565.60	Calculated Property
η	0.0001906	Pa×s	588.93	Calculated Property
η	0.0001534	Pa×s	612.26	Calculated Property
η	0.0001255	Pa×s	635.59	Calculated Property
η	0.0001041	Pa×s	658.92	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(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.