Chemical Properties of Diethyl sulfone (CAS 597-35-3)

InChI

InChI=1S/C4H10O2S/c1-3-7(5,6)4-2/h3-4H2,1-2H3

InChI Key

MBDUIEKYVPVZJH-UHFFFAOYSA-N

Formula

C4H10O2S

SMILES

CCS(=O)(=O)CC

Molecular Weight¹

122.19

CAS

597-35-3

Other Names

• (C2H5)2SO2
• 1,1'-Sulphonylbisethane
• Diethyl sulphone
• Ethane, 1,1'-sulfonylbis-
• Ethyl sulfone

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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).
• P_vap : Vapor pressure (kPa).
• 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	0.4239		Relay (1.0) Calculated Property
ΔcH°solid	-3090.00 ± 0.42	kJ/mol	NIST
ΔfG°	-485.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-429.30 ± 2.60	kJ/mol	NIST
ΔfH°solid	-515.51 ± 0.67	kJ/mol	NIST
ΔfusH°	17.49	kJ/mol	Joback Calculated Property
ΔvapH°	79.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.96 ± 0.03	eV	NIST
log10WS	0.04		Aq. Solubility Prediction
logPoct/wat	0.441		Crippen Calculated Property
McVol	95.310	ml/mol	McGowan Calculated Property
Pc	4775.98	kPa	Joback Calculated Property
Tboil	511.83	K	Relay (1.0) Calculated Property
Tc	672.53	K	Relay (1.0) Calculated Property
Tfus	[342.20; 347.00]	K
Tfus	345.90	K	Aq. Solubility Prediction
Tfus	345.00 ± 2.00	K	NIST
Tfus	347.00 ± 2.00	K	NIST
Tfus	346.70 ± 1.50	K	NIST
Tfus	345.20 ± 1.00	K	NIST
Tfus	342.20 ± 0.50	K	NIST
Vc	0.338	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.13; 206.20]	J/mol×K	[338.70; 501.46]
Cp,gas	158.13	J/mol×K	338.70	Joback Calculated Property
Cp,gas	166.73	J/mol×K	365.83	Joback Calculated Property
Cp,gas	175.10	J/mol×K	392.95	Joback Calculated Property
Cp,gas	183.24	J/mol×K	420.08	Joback Calculated Property
Cp,gas	191.13	J/mol×K	447.21	Joback Calculated Property
Cp,gas	198.79	J/mol×K	474.33	Joback Calculated Property
Cp,gas	206.20	J/mol×K	501.46	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[391.92; 550.04]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50304e+01
Coefficient B			-4.50968e+03
Coefficient C			-8.60300e+01
Temperature range, min.			391.92
Temperature range, max.			550.04
Pvap	1.33	kPa	391.92	Calculated Property
Pvap	2.97	kPa	409.49	Calculated Property
Pvap	6.09	kPa	427.06	Calculated Property
Pvap	11.64	kPa	444.63	Calculated Property
Pvap	20.94	kPa	462.20	Calculated Property
Pvap	35.76	kPa	479.76	Calculated Property
Pvap	58.32	kPa	497.33	Calculated Property
Pvap	91.39	kPa	514.90	Calculated Property
Pvap	138.24	kPa	532.47	Calculated Property
Pvap	202.65	kPa	550.04	Calculated Property

Similar Compounds

Find more compounds similar to Diethyl sulfone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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