Chemical Properties of L-Mannose, 6-deoxy-, dioctyl mercaptal (CAS 115395-63-6)

InChI

InChI=1S/C22H46O4S2/c1-4-6-8-10-12-14-16-27-22(21(26)20(25)19(24)18(3)23)28-17-15-13-11-9-7-5-2/h18-26H,4-17H2,1-3H3

InChI Key

SDOOHQUJOHBBFO-UHFFFAOYSA-N

Formula

C22H46O4S2

SMILES

CCCCCCCCSC(SCCCCCCCC)C(O)C(O)C(O)C(C)O

Molecular Weight¹

438.73

CAS

115395-63-6

Other Names

• (l)-rhamnose dioctyl 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).
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[1364.27; 1431.00]	J/mol×K	[1207.04; 1576.88]
Cp,gas	1364.27	J/mol×K	1207.04	Joback Calculated Property
Cp,gas	1380.90	J/mol×K	1268.68	Joback Calculated Property
Cp,gas	1394.88	J/mol×K	1330.32	Joback Calculated Property
Cp,gas	1406.56	J/mol×K	1391.96	Joback Calculated Property
Cp,gas	1416.26	J/mol×K	1453.60	Joback Calculated Property
Cp,gas	1424.29	J/mol×K	1515.24	Joback Calculated Property
Cp,gas	1431.00	J/mol×K	1576.88	Joback Calculated Property
ΔfusH	54.70	kJ/mol	387.90	NIST

Similar Compounds

Find more compounds similar to L-Mannose, 6-deoxy-, dioctyl 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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