Chemical Properties of Disulfide, diphenyl (CAS 882-33-7)

InChI

InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H

InChI Key

GUUVPOWQJOLRAS-UHFFFAOYSA-N

Formula

C12H10S2

SMILES

c1ccc(SSc2ccccc2)cc1

Molecular Weight¹

218.34

CAS

882-33-7

Other Names

• Phenyl disulfide
• Diphenyl disulfide
• USAF e-1
• diphenyl disulphide

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	[-7504.40; -7503.18]	kJ/mol
ΔcH°solid	-7503.18	kJ/mol	NIST
ΔcH°solid	-7504.40 ± 2.70	kJ/mol	NIST
ΔfG°	341.22	kJ/mol	Joback Calculated Property
ΔfH°gas	[244.00; 246.00]	kJ/mol
ΔfH°gas	246.00	kJ/mol	NIST
ΔfH°gas	244.00 ± 4.20	kJ/mol	NIST
ΔfH°solid	[149.10; 151.06]	kJ/mol
ΔfH°solid	151.06	kJ/mol	NIST
ΔfH°solid	149.10 ± 2.70	kJ/mol	NIST
ΔfusH°	23.18	kJ/mol	Joback Calculated Property
ΔsubH°	[94.90; 95.00]	kJ/mol
ΔsubH°	95.00 ± 2.00	kJ/mol	NIST
ΔsubH°	94.90	kJ/mol	NIST
ΔvapH°	78.70 ± 2.90	kJ/mol	NIST
IE	[8.30; 9.40]	eV
IE	9.40 ± 0.30	eV	NIST
IE	8.30	eV	NIST
log10WS	-4.76		Crippen Calculated Property
logPoct/wat	4.486		Crippen Calculated Property
McVol	165.120	ml/mol	McGowan Calculated Property
Pc	3568.53	kPa	Joback Calculated Property
Tboil	664.88	K	Joback Calculated Property
Tc	955.79	K	Joback Calculated Property
Tfus	333.50 ± 1.00	K	NIST
Vc	0.600	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[378.83; 448.12]	J/mol×K	[664.88; 955.79]
Cp,gas	378.83	J/mol×K	664.88	Joback Calculated Property
Cp,gas	394.06	J/mol×K	713.37	Joback Calculated Property
Cp,gas	407.71	J/mol×K	761.85	Joback Calculated Property
Cp,gas	419.85	J/mol×K	810.34	Joback Calculated Property
Cp,gas	430.57	J/mol×K	858.82	Joback Calculated Property
Cp,gas	439.97	J/mol×K	907.31	Joback Calculated Property
Cp,gas	448.12	J/mol×K	955.79	Joback Calculated Property
ΔvapH	[72.40; 74.40]	kJ/mol	[493.50; 494.00]
ΔvapH	74.40	kJ/mol	493.50	NIST
ΔvapH	72.40	kJ/mol	494.00	NIST

Similar Compounds

Find more compounds similar to Disulfide, diphenyl.

Sources

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

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