Chemical Properties of Benzene, (ethylsulfonyl)- (CAS 599-70-2)

InChI

InChI=1S/C8H10O2S/c1-2-11(9,10)8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChI Key

VBQUDDWATQWCPP-UHFFFAOYSA-N

Formula

C8H10O2S

SMILES

CCS(=O)(=O)c1ccccc1

Molecular Weight¹

170.23

CAS

599-70-2

Other Names

• Sulfone, ethyl phenyl
• Ethyl phenyl sulfone
• Phenyl ethyl sulfone
• (ethylsulphonyl)benzene

• 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).
• 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°	-339.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-425.27	kJ/mol	Joback Calculated Property
ΔfusH°	21.89	kJ/mol	Joback Calculated Property
ΔvapH°	54.31	kJ/mol	Joback Calculated Property
IE	[9.40; 9.75]	eV
IE	9.40	eV	NIST
IE	9.75	eV	NIST
log10WS	-1.58		Crippen Calculated Property
logPoct/wat	1.480		Crippen Calculated Property
McVol	127.910	ml/mol	McGowan Calculated Property
Pc	4444.44	kPa	Joback Calculated Property
Tboil	456.90	K	Joback Calculated Property
Tc	660.54	K	Joback Calculated Property
Tfus	244.90	K	Joback Calculated Property
Vc	0.501	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.95; 318.41]	J/mol×K	[456.90; 660.54]
Cp,gas	248.95	J/mol×K	456.90	Joback Calculated Property
Cp,gas	262.27	J/mol×K	490.84	Joback Calculated Property
Cp,gas	274.88	J/mol×K	524.78	Joback Calculated Property
Cp,gas	286.79	J/mol×K	558.72	Joback Calculated Property
Cp,gas	298.00	J/mol×K	592.66	Joback Calculated Property
Cp,gas	308.54	J/mol×K	626.60	Joback Calculated Property
Cp,gas	318.41	J/mol×K	660.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, (ethylsulfonyl)-.

Sources

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

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