Chemical Properties of Sorbitol, 2,6-dimethyl, TFA

InChI

InChI=1S/C16H14F12O10/c1-33-3-6(36-10(30)14(20,21)22)8(38-12(32)16(26,27)28)7(37-11(31)15(23,24)25)5(34-2)4-35-9(29)13(17,18)19/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1

InChI Key

DIZQCSSEHCRSET-ULAWRXDQSA-N

Formula

C16H14F12O10

SMILES

COC[C@H](OC(=O)C(F)(F)F)[C@@H](OC(=O)C(F)(F)F)[C@H](OC(=O)C(F)(F)F)[C@@H](COC(=O)C(F)(F)F)OC

Molecular Weight¹

594.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	43.93	kJ/mol	Joback Calculated Property
logPoct/wat	2.176		Crippen Calculated Property
McVol	299.040	ml/mol	McGowan Calculated Property
Inp	[1226.00; 1237.00]
Inp	1237.00		NIST
Inp	1226.00		NIST
Inp	1237.00		NIST
Tfus	340.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[977.41; 1019.30]	J/mol×K	[892.04; 1097.25]
Cp,gas	977.41	J/mol×K	892.04	Joback Calculated Property
Cp,gas	987.41	J/mol×K	926.24	Joback Calculated Property
Cp,gas	996.15	J/mol×K	960.44	Joback Calculated Property
Cp,gas	1003.66	J/mol×K	994.65	Joback Calculated Property
Cp,gas	1010.00	J/mol×K	1028.85	Joback Calculated Property
Cp,gas	1015.20	J/mol×K	1063.05	Joback Calculated Property
Cp,gas	1019.30	J/mol×K	1097.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sorbitol, 2,6-dimethyl, TFA.

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

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.
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