Chemical Properties of Benzyl sulfone (CAS 620-32-6)

InChI

InChI=1S/C14H14O2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChI Key

AWHNUHMUCGRKRA-UHFFFAOYSA-N

Formula

C14H14O2S

SMILES

O=S(=O)(Cc1ccccc1)Cc1ccccc1

Molecular Weight¹

246.32

CAS

620-32-6

Other Names

• Dibenzyl sulfone
• Benzene, 1,1'-[sulfonylbis(methylene)]bis-
• Dibenzyl sulphone

• 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_subH° : Enthalpy of sublimation 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	0.5806		Relay (1.0) Calculated Property
ΔcH°solid	-7829.60 ± 1.00	kJ/mol	NIST
ΔfG°	-176.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-157.10 ± 3.20	kJ/mol	NIST
ΔfH°solid	-282.60 ± 1.20	kJ/mol	NIST
ΔfusH°	31.48	kJ/mol	Joback Calculated Property
ΔsubH°	114.00 ± 2.00	kJ/mol	NIST
ΔvapH°	108.85	kJ/mol	Relay (1.0) Calculated Property
IE	8.64	eV	Relay (1.0) Calculated Property
log10WS	-3.19		Relay (1.0) Calculated Property
logPoct/wat	2.802		Crippen Calculated Property
McVol	188.690	ml/mol	McGowan Calculated Property
Pc	3284.05	kPa	Joback Calculated Property
Tboil	650.00	K	Relay (1.0) Calculated Property
Tc	913.63	K	Relay (1.0) Calculated Property
Tfus	[402.00; 425.00]	K
Tfus	422.70 ± 1.00	K	NIST
Tfus	425.00 ± 3.00	K	NIST
Tfus	402.00 ± 2.00	K	NIST
Tfus	425.00 ± 3.00	K	NIST
Vc	0.662	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[457.68; 540.88]	J/mol×K	[620.86; 849.79]
Cp,gas	457.68	J/mol×K	620.86	Joback Calculated Property
Cp,gas	474.68	J/mol×K	659.01	Joback Calculated Property
Cp,gas	490.36	J/mol×K	697.17	Joback Calculated Property
Cp,gas	504.77	J/mol×K	735.32	Joback Calculated Property
Cp,gas	517.96	J/mol×K	773.48	Joback Calculated Property
Cp,gas	529.98	J/mol×K	811.63	Joback Calculated Property
Cp,gas	540.88	J/mol×K	849.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzyl sulfone.

Sources

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

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