Chemical Properties of D-xylose, acetylated diethyldithioacetal derivative

InChI

InChI=1S/C17H28O8S2/c1-7-26-17(27-8-2)16(25-13(6)21)15(24-12(5)20)14(23-11(4)19)9-22-10(3)18/h14-17H,7-9H2,1-6H3/t14-,15+,16-/m1/s1

InChI Key

OGSWVSGRSHUBOP-OWCLPIDISA-N

Formula

C17H28O8S2

SMILES

CCSC(SCC)C(OC(C)=O)C(OC(C)=O)C(COC(C)=O)OC(C)=O

Molecular Weight¹

424.53

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-786.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-1310.79	kJ/mol	Joback Calculated Property
ΔfusH°	45.10	kJ/mol	Joback Calculated Property
ΔvapH°	102.14	kJ/mol	Joback Calculated Property
log10WS	-3.10		Crippen Calculated Property
logPoct/wat	2.177		Crippen Calculated Property
McVol	312.850	ml/mol	McGowan Calculated Property
Pc	1479.29	kPa	Joback Calculated Property
Inp	[2238.00; 2238.00]
Inp	2238.00		NIST
Inp	2238.00		NIST
Tboil	1029.32	K	Joback Calculated Property
Tc	1261.82	K	Joback Calculated Property
Tfus	578.79	K	Joback Calculated Property
Vc	1.167	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[989.20; 1008.26]	J/mol×K	[1029.32; 1261.82]
Cp,gas	989.20	J/mol×K	1029.32	Joback Calculated Property
Cp,gas	997.18	J/mol×K	1068.07	Joback Calculated Property
Cp,gas	1003.04	J/mol×K	1106.82	Joback Calculated Property
Cp,gas	1006.75	J/mol×K	1145.57	Joback Calculated Property
Cp,gas	1008.26	J/mol×K	1184.32	Joback Calculated Property
Cp,gas	1007.53	J/mol×K	1223.07	Joback Calculated Property
Cp,gas	1004.52	J/mol×K	1261.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-xylose, acetylated diethyldithioacetal derivative.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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