Chemical Properties of Diphenyl sulfone (CAS 127-63-9)

InChI

InChI=1S/C12H10O2S/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChI Key

KZTYYGOKRVBIMI-UHFFFAOYSA-N

Formula

C12H10O2S

SMILES

O=S(=O)(c1ccccc1)c1ccccc1

Molecular Weight¹

218.27

CAS

127-63-9

Other Names

• (Phenylsulfonyl)benzene
• Benzene, 1,1'-sulfonylbis-
• DPS
• Difenylsulfon
• Diphenyl sulphone
• NSC 627706
• NSC 6780
• Phenyl sulfone
• Phenyl sulphone
• Sulfobenzide
• Sulfone, diphenyl

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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	-6528.50 ± 1.50	kJ/mol	NIST
ΔfG°	-193.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-118.70 ± 3.30	kJ/mol	NIST
ΔfH°solid	-225.00 ± 1.60	kJ/mol	NIST
ΔfusH°	26.30	kJ/mol	Joback Calculated Property
ΔsubH°	106.00 ± 2.00	kJ/mol	NIST
ΔvapH°	65.49	kJ/mol	Joback Calculated Property
IE	[9.16; 9.70]	eV
IE	9.16	eV	NIST
IE	9.20	eV	NIST
IE	9.16 ± 0.03	eV	NIST
IE	9.70	eV	NIST
IE	9.46	eV	NIST
IE	9.37	eV	NIST
log10WS	-3.64		Aq. Sol...
logPoct/wat	2.519		Crippen Calculated Property
McVol	160.510	ml/mol	McGowan Calculated Property
Pc	4146.27	kPa	Joback Calculated Property
Tboil	575.10	K	Joback Calculated Property
Tc	813.46	K	Joback Calculated Property
Tfus	[394.00; 433.50]	K
Tfus	401.40	K	Aq. Sol...
Tfus	398.20	K	Abraham...
Tfus	397.00 ± 2.00	K	NIST
Tfus	Outlier 433.50 ± 1.50	K	NIST
Tfus	400.00 ± 3.00	K	NIST
Tfus	397.00 ± 3.00	K	NIST
Tfus	398.00 ± 2.00	K	NIST
Tfus	394.00 ± 2.00	K	NIST
Tfus	401.00 ± 2.00	K	NIST
Tfus	399.00 ± 3.00	K	NIST
Tfus	396.00 ± 4.00	K	NIST
Tfus	397.00 ± 3.00	K	NIST
Tfus	397.00 ± 3.00	K	NIST
Tfus	399.00 ± 3.00	K	NIST
Tfus	399.00 ± 3.00	K	NIST
Tfus	401.40 ± 1.00	K	NIST
Tfus	400.35 ± 0.60	K	NIST
Vc	0.618	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[359.51; 436.97]	J/mol×K	[575.10; 813.46]
Cp,gas	359.51	J/mol×K	575.10	Joback Calculated Property
Cp,gas	375.47	J/mol×K	614.83	Joback Calculated Property
Cp,gas	390.15	J/mol×K	654.55	Joback Calculated Property
Cp,gas	403.60	J/mol×K	694.28	Joback Calculated Property
Cp,gas	415.85	J/mol×K	734.01	Joback Calculated Property
Cp,gas	426.96	J/mol×K	773.73	Joback Calculated Property
Cp,gas	436.97	J/mol×K	813.46	Joback Calculated Property
Cp,solid	244.30	J/mol×K	298.50	NIST

Similar Compounds

Find more compounds similar to Diphenyl sulfone.

Mixtures

• Acetic acid, pentyl ester + Diphenyl sulfone

Sources

• Crippen Method
• Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.