Chemical Properties of Mannitol, hexakis(trichloroacetate)

InChI

InChI=1S/C18H8Cl18O12/c19-13(20,21)7(37)43-1-3(45-9(39)15(25,26)27)5(47-11(41)17(31,32)33)6(48-12(42)18(34,35)36)4(46-10(40)16(28,29)30)2-44-8(38)14(22,23)24/h3-6H,1-2H2

InChI Key

AVWKGFLULWRTFJ-UHFFFAOYSA-N

Formula

C18H8Cl18O12

SMILES

O=C(OCC(OC(=O)C(Cl)(Cl)Cl)C(OC(=O)C(Cl)(Cl)Cl)C(OC(=O)C(Cl)(Cl)Cl)C(COC(=O)C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

Molecular Weight¹

1054.40

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[716.62; 1156.45]	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			2.17452e+02
Coefficient B			2.28580e+00
Coefficient C			-1.79860e-03
Coefficient D			4.51800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	716.62	J/mol×K	273.00	Calculated Property
Cp,gas	821.01	J/mol×K	353.78	Calculated Property
Cp,gas	908.19	J/mol×K	434.56	Calculated Property
Cp,gas	979.58	J/mol×K	515.33	Calculated Property
Cp,gas	1036.62	J/mol×K	596.11	Calculated Property
Cp,gas	1080.72	J/mol×K	676.89	Calculated Property
Cp,gas	1113.33	J/mol×K	757.67	Calculated Property
Cp,gas	1135.87	J/mol×K	838.44	Calculated Property
Cp,gas	1149.77	J/mol×K	919.22	Calculated Property
Cp,gas	1156.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000001; 1.3429287e-08]	Pa×s	[1039.68; 1415.99]	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			-2.44973e+01
Coefficient B			9.02192e+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.			1039.68
Temperature range, max.			1415.99
η	0.0000001	Pa×s	1039.68	Calculated Property
η	9.6360574e-08	Pa×s	1081.49	Calculated Property
η	7.0638857e-08	Pa×s	1123.31	Calculated Property
η	5.2950137e-08	Pa×s	1165.12	Calculated Property
η	4.0491483e-08	Pa×s	1206.93	Calculated Property
η	3.1525518e-08	Pa×s	1248.74	Calculated Property
η	2.4946200e-08	Pa×s	1290.56	Calculated Property
η	2.0032127e-08	Pa×s	1332.37	Calculated Property
η	1.6302259e-08	Pa×s	1374.18	Calculated Property
η	1.3429287e-08	Pa×s	1415.99	Calculated Property

Similar Compounds

Find more compounds similar to Mannitol, hexakis(trichloroacetate).

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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