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

InChI

InChI=1S/C9H16O2S2/c1-5-9(11)8(4)13-12-7(3)6(2)10/h7-8H,5H2,1-4H3

InChI Key

DYAXZUZAGRJLCX-UHFFFAOYSA-N

Formula

C9H16O2S2

SMILES

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

Molecular Weight¹

220.35

• 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°	-171.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-381.07	kJ/mol	Joback Calculated Property
ΔfusH°	23.48	kJ/mol	Joback Calculated Property
ΔvapH°	61.98	kJ/mol	Joback Calculated Property
log10WS	-3.13		Crippen Calculated Property
logPoct/wat	2.713		Crippen Calculated Property
McVol	173.510	ml/mol	McGowan Calculated Property
Pc	2752.67	kPa	Joback Calculated Property
Inp	[1561.00; 1561.00]
Inp	1561.00		NIST
Inp	1561.00		NIST
Tboil	649.74	K	Joback Calculated Property
Tc	876.37	K	Joback Calculated Property
Tfus	329.85	K	Joback Calculated Property
Vc	0.647	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[423.62; 491.75]	J/mol×K	[649.74; 876.37]
Cp,gas	423.62	J/mol×K	649.74	Joback Calculated Property
Cp,gas	437.16	J/mol×K	687.51	Joback Calculated Property
Cp,gas	449.82	J/mol×K	725.28	Joback Calculated Property
Cp,gas	461.60	J/mol×K	763.05	Joback Calculated Property
Cp,gas	472.51	J/mol×K	800.83	Joback Calculated Property
Cp,gas	482.56	J/mol×K	838.60	Joback Calculated Property
Cp,gas	491.75	J/mol×K	876.37	Joback Calculated Property

Similar Compounds

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

Sources

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

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