Chemical Properties of di-p-Tolyl sulfone (CAS 599-66-6)

InChI

InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChI Key

WEAYCYAIVOIUMG-UHFFFAOYSA-N

Formula

C14H14O2S

SMILES

Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1

Molecular Weight¹

246.32

CAS

599-66-6

Other Names

• Bis(4-methylphenyl) sulfone
• Benzene, 1,1'-sulfonylbis(4-methyl-
• p-Tolyl sulfone
• p,p'-Ditolyl sulfone
• Sulfone, di-p-tolyl
• 4,4'-Dimethyldiphenylsulfone
• 4,4'-Ditolyl sulfone
• Bis(p-tolyl) sulfone
• NSC 208
• di-p-tolyl sulphone
• Benzene, 1,1'-sulfonylbis(4-methyl-)

• 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
ΔcH°solid	-7800.65 ± 0.50	kJ/mol	NIST
ΔfG°	-195.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-202.00 ± 3.00	kJ/mol	NIST
ΔfH°solid	-311.40 ± 0.80	kJ/mol	NIST
ΔfusH°	30.70	kJ/mol	Joback Calculated Property
ΔsubH°	110.00 ± 2.00	kJ/mol	NIST
ΔvapH°	71.27	kJ/mol	Joback Calculated Property
IE	8.66 ± 0.04	eV	NIST
log10WS	-3.79		Crippen Calculated Property
logPoct/wat	3.136		Crippen Calculated Property
McVol	188.690	ml/mol	McGowan Calculated Property
Pc	3173.97	kPa	Joback Calculated Property
Tboil	630.82	K	Joback Calculated Property
Tc	861.63	K	Joback Calculated Property
Tfus	[421.90; 429.00]	K
Tfus	421.90 ± 1.50	K	NIST
Tfus	429.00 ± 3.00	K	NIST
Vc	0.730	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[456.66; 537.83]	J/mol×K	[630.82; 861.63]
Cp,gas	456.66	J/mol×K	630.82	Joback Calculated Property
Cp,gas	473.14	J/mol×K	669.29	Joback Calculated Property
Cp,gas	488.39	J/mol×K	707.76	Joback Calculated Property
Cp,gas	502.46	J/mol×K	746.22	Joback Calculated Property
Cp,gas	515.36	J/mol×K	784.69	Joback Calculated Property
Cp,gas	527.14	J/mol×K	823.16	Joback Calculated Property
Cp,gas	537.83	J/mol×K	861.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to di-p-Tolyl sulfone.

Sources

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

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