Chemical Properties of D-GLUCOSE, DIHEXYL MERCAPTAL

InChI

InChI=1S/C18H38O5S2/c1-3-5-7-9-11-24-18(25-12-10-8-6-4-2)17(23)16(22)15(21)14(20)13-19/h14-23H,3-13H2,1-2H3

InChI Key

NVZRRIMRHXQLPB-UHFFFAOYSA-N

Formula

C18H38O5S2

SMILES

CCCCCCSC(SCCCCCC)C(O)C(O)C(O)C(O)CO

Molecular Weight¹

398.63

Other Names

• D-Glucose, dihexyl mercaptal
• (D)-glucose dihexyl dithioacetal

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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	[1161.91; 1211.79]	J/mol×K	[1207.50; 1580.60]
Cp,gas	1161.91	J/mol×K	1207.50	Joback Calculated Property
Cp,gas	1175.15	J/mol×K	1269.68	Joback Calculated Property
Cp,gas	1186.04	J/mol×K	1331.87	Joback Calculated Property
Cp,gas	1194.87	J/mol×K	1394.05	Joback Calculated Property
Cp,gas	1201.92	J/mol×K	1456.23	Joback Calculated Property
Cp,gas	1207.47	J/mol×K	1518.41	Joback Calculated Property
Cp,gas	1211.79	J/mol×K	1580.60	Joback Calculated Property
ΔfusH	44.60	kJ/mol	377.00	NIST

Similar Compounds

Find more compounds similar to D-GLUCOSE, DIHEXYL MERCAPTAL.

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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