Chemical Properties of Benzene, (ethylsulfonyl)-

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

Other Names

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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ω	0.4485		Relay (1.0) Calculated Property
ΔfH°gas	-250.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.89	kJ/mol	Joback Calculated Property
ΔvapH°	86.01	kJ/mol	Relay (1.0) Calculated Property
IE	[9.40; 9.75]	eV
IE	9.40	eV	NIST
IE	9.75	eV	NIST
log10WS	-2.19		Relay (1.0) 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	570.30	K	Relay (1.0) Calculated Property
Tc	776.88	K	Relay (1.0) Calculated Property
Tfus	315.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.446	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.95; 382.76]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.04900e+00
Coefficient B			7.18510e-01
Coefficient C			-3.77000e-04
Coefficient D			4.63000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.95	J/mol×K	273.00	Calculated Property
Cp,gas	204.01	J/mol×K	353.78	Calculated Property
Cp,gas	239.79	J/mol×K	434.56	Calculated Property
Cp,gas	271.44	J/mol×K	515.33	Calculated Property
Cp,gas	299.10	J/mol×K	596.11	Calculated Property
Cp,gas	322.93	J/mol×K	676.89	Calculated Property
Cp,gas	343.06	J/mol×K	757.67	Calculated Property
Cp,gas	359.64	J/mol×K	838.44	Calculated Property
Cp,gas	372.83	J/mol×K	919.22	Calculated Property
Cp,gas	382.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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