Chemical Properties of bis(1-methyl-2-oxobutyl) sulfide

InChI

InChI=1S/C10H18O2S/c1-5-9(11)7(3)13-8(4)10(12)6-2/h7-8H,5-6H2,1-4H3

InChI Key

STEMUDBXFWZOOG-UHFFFAOYSA-N

Formula

C10H18O2S

SMILES

CCC(=O)C(C)SC(C)C(=O)CC

Molecular Weight¹

202.31

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.4638		Relay (1.0) Calculated Property
ΔfG°	-196.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-495.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.94	kJ/mol	Joback Calculated Property
ΔvapH°	63.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-1.51		Relay (1.0) Calculated Property
logPoct/wat	2.455		Crippen Calculated Property
McVol	171.250	ml/mol	McGowan Calculated Property
Pc	2453.17	kPa	Joback Calculated Property
Inp	[1460.00; 1460.00]
Inp	1460.00		NIST
Inp	1460.00		NIST
Tboil	505.70	K	Relay (1.0) Calculated Property
Tc	703.88	K	Relay (1.0) Calculated Property
Tfus	330.54	K	Relay (1.0) Calculated Property
Vc	0.586	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[420.41; 495.03]	J/mol×K	[603.84; 810.31]
Cp,gas	420.41	J/mol×K	603.84	Joback Calculated Property
Cp,gas	434.76	J/mol×K	638.25	Joback Calculated Property
Cp,gas	448.33	J/mol×K	672.66	Joback Calculated Property
Cp,gas	461.12	J/mol×K	707.07	Joback Calculated Property
Cp,gas	473.16	J/mol×K	741.49	Joback Calculated Property
Cp,gas	484.46	J/mol×K	775.90	Joback Calculated Property
Cp,gas	495.03	J/mol×K	810.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to bis(1-methyl-2-oxobutyl) sulfide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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