Chemical Properties of 3-(1-Methyl-2-oxobutyldithio)pentan-2-one, #2

InChI

InChI=1S/C10H18O2S2/c1-5-9(12)8(4)13-14-10(6-2)7(3)11/h8,10H,5-6H2,1-4H3

InChI Key

XXXOWSFREAVVBG-UHFFFAOYSA-N

Formula

C10H18O2S2

SMILES

CCC(=O)C(C)SSC(CC)C(C)=O

Molecular Weight¹

234.38

• 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°	-163.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-401.71	kJ/mol	Joback Calculated Property
ΔfusH°	26.07	kJ/mol	Joback Calculated Property
ΔvapH°	64.20	kJ/mol	Joback Calculated Property
log10WS	-3.55		Crippen Calculated Property
logPoct/wat	3.103		Crippen Calculated Property
McVol	187.600	ml/mol	McGowan Calculated Property
Pc	2495.01	kPa	Joback Calculated Property
Inp	[1630.00; 1630.00]
Inp	1630.00		NIST
Inp	1630.00		NIST
Tboil	672.62	K	Joback Calculated Property
Tc	895.13	K	Joback Calculated Property
Tfus	341.12	K	Joback Calculated Property
Vc	0.704	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.93; 545.08]	J/mol×K	[672.62; 895.13]
Cp,gas	473.93	J/mol×K	672.62	Joback Calculated Property
Cp,gas	488.07	J/mol×K	709.70	Joback Calculated Property
Cp,gas	501.29	J/mol×K	746.79	Joback Calculated Property
Cp,gas	513.59	J/mol×K	783.87	Joback Calculated Property
Cp,gas	524.98	J/mol×K	820.96	Joback Calculated Property
Cp,gas	535.47	J/mol×K	858.04	Joback Calculated Property
Cp,gas	545.08	J/mol×K	895.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-(1-Methyl-2-oxobutyldithio)pentan-2-one, #2.

Sources

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

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