Chemical Properties of p-Tolyl sulfide

InChI

InChI=1S/C14H14S2/c1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChI Key

TZOVOULUMXXLOJ-UHFFFAOYSA-N

Formula

C14H14S2

SMILES

Cc1ccc(SSc2ccc(C)cc2)cc1

Molecular Weight¹

246.40

Other Names

• p-Tolyl disulfide
• Biodylon
• Bis(p-tolyl) disulfide
• Bis(4-methylphenyl) disulfide
• Bis(4-tolyl) disulfide
• Di-p-Tolyl disulfide
• Di-4-tolyl disulfide
• Kresulfin
• 4-Methylphenyl disulfide
• Di(4-methylphenyl) disulfide
• 4-Tolyl disulfide
• Bis(p-methylphenyl) disulfide
• NSC 677466
• NSC 994
• di-p-tolyl disulphide

• ω : Acentric Factor.
• 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
ω	0.4331		Relay (1.0) Calculated Property
ΔfG°	338.80	kJ/mol	Joback Calculated Property
ΔfH°gas	165.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.58	kJ/mol	Joback Calculated Property
ΔvapH°	89.70	kJ/mol	Relay (1.0) Calculated Property
IE	[7.50; 8.00]	eV
IE	7.50	eV	NIST
IE	8.00	eV	NIST
log10WS	-6.21		Relay (1.0) Calculated Property
logPoct/wat	5.103		Crippen Calculated Property
McVol	193.300	ml/mol	McGowan Calculated Property
Pc	2781.78	kPa	Joback Calculated Property
Tboil	621.74	K	Relay (1.0) Calculated Property
Tc	841.06	K	Relay (1.0) Calculated Property
Tfus	356.03	K	Relay (1.0) Calculated Property
Vc	0.694	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[234.07; 551.65]	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			-9.85000e+00
Coefficient B			1.04582e+00
Coefficient C			-5.85720e-04
Coefficient D			1.01400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	234.07	J/mol×K	273.00	Calculated Property
Cp,gas	291.32	J/mol×K	353.78	Calculated Property
Cp,gas	342.33	J/mol×K	434.56	Calculated Property
Cp,gas	387.42	J/mol×K	515.33	Calculated Property
Cp,gas	426.92	J/mol×K	596.11	Calculated Property
Cp,gas	461.14	J/mol×K	676.89	Calculated Property
Cp,gas	490.40	J/mol×K	757.67	Calculated Property
Cp,gas	515.02	J/mol×K	838.44	Calculated Property
Cp,gas	535.33	J/mol×K	919.22	Calculated Property
Cp,gas	551.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to p-Tolyl sulfide.

Sources

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

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