Chemical Properties of 2-oxopropyl 3-oxo-2-butyl disulfide

InChI

InChI=1S/C7H12O2S2/c1-5(8)4-10-11-7(3)6(2)9/h7H,4H2,1-3H3

InChI Key

HNFHHSMMXNNSFS-UHFFFAOYSA-N

Formula

C7H12O2S2

SMILES

CC(=O)CSSC(C)C(C)=O

Molecular Weight¹

192.30

• 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.
• I : 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	0.4333		Relay (1.0) Calculated Property
ΔfG°	-185.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-385.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.82	kJ/mol	Joback Calculated Property
ΔvapH°	64.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-0.96		Relay (1.0) Calculated Property
logPoct/wat	1.934		Crippen Calculated Property
McVol	145.330	ml/mol	McGowan Calculated Property
Pc	3372.36	kPa	Joback Calculated Property
Inp	[1436.00; 1436.00]
Inp	1436.00		NIST
Inp	1436.00		NIST
I	[2280.00; 2280.00]
I	2280.00		NIST
I	2280.00		NIST
Tboil	530.60	K	Relay (1.0) Calculated Property
Tc	751.93	K	Relay (1.0) Calculated Property
Tfus	287.52	K	Relay (1.0) Calculated Property
Vc	0.488	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[327.04; 386.10]	J/mol×K	[604.42; 835.16]
Cp,gas	327.04	J/mol×K	604.42	Joback Calculated Property
Cp,gas	338.71	J/mol×K	642.88	Joback Calculated Property
Cp,gas	349.64	J/mol×K	681.33	Joback Calculated Property
Cp,gas	359.85	J/mol×K	719.79	Joback Calculated Property
Cp,gas	369.33	J/mol×K	758.24	Joback Calculated Property
Cp,gas	378.08	J/mol×K	796.70	Joback Calculated Property
Cp,gas	386.10	J/mol×K	835.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-oxopropyl 3-oxo-2-butyl disulfide.

Sources

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

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