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

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

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• 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).
• P_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5697		ChemSep v8.3 pure component data Compiled value
ΔcH°solid	[-7504.40; -7503.18]	kJ/mol
ΔcH°solid	-7503.18	kJ/mol	NIST
ΔcH°solid	-7504.40 ± 2.70	kJ/mol	NIST
μ	1.79	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	351.80	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	[244.00; 262.80]	kJ/mol
ΔfH°gas	262.80	kJ/mol	ChemSep v8.3 pure component data Compiled value
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
ΔsubH°	95.00 ± 2.00	kJ/mol	NIST
ΔsubH°	94.90	kJ/mol	NIST
ΔvapH°	[78.70; 78.70]	kJ/mol
ΔvapH°	78.70 ± 2.90	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	-5.28		Relay (1.0) Calculated Property
logPoct/wat	4.486		Crippen Calculated Property
McVol	165.120	ml/mol	McGowan Calculated Property
Pc	3569.00	kPa	ChemSep v8.3 pure component data Compiled value
Ptriple	4.90e-04	kPa	ChemSep v8.3 pure component data Compiled value
Tboil	583.15	K	ChemSep v8.3 pure component data Compiled value
Tc	829.80	K	ChemSep v8.3 pure component data Compiled value
Tfus	[333.50; 334.15]	K
Tfus	334.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	333.50	K	ChemSep v8.3 pure component data Compiled value
Tfus	333.50 ± 1.00	K	NIST
Ttriple	333.50	K	ChemSep v8.3 pure component data Compiled value
UQi	5.50		ChemSep v8.3 pure component data Compiled value
URi	7.63		ChemSep v8.3 pure component data Compiled value
Vc	0.584	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.3020000		ChemSep v8.3 pure component data Compiled value
Zra	0.30		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.13; 508.07]	J/mol×K	[273.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.04330e+01
Coefficient B			-4.72230e+02
Coefficient C			6.56124e+00
Coefficient D			-1.16050e-04
Coefficient E			2.38770e-08
Temperature range, min.			273.00
Temperature range, max.			1500.00
Cp,gas	172.13	J/mol×K	273.00	Calculated Property
Cp,gas	264.03	J/mol×K	409.33	Calculated Property
Cp,gas	331.79	J/mol×K	545.67	Calculated Property
Cp,gas	380.99	J/mol×K	682.00	Calculated Property
Cp,gas	417.37	J/mol×K	818.33	Calculated Property
Cp,gas	444.91	J/mol×K	954.67	Calculated Property
Cp,gas	466.24	J/mol×K	1091.00	Calculated Property
Cp,gas	483.12	J/mol×K	1227.33	Calculated Property
Cp,gas	496.78	J/mol×K	1363.67	Calculated Property
Cp,gas	508.07	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[337.97; 470.42]	J/mol×K	[333.50; 583.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,liquid in J/mol×K, T in K
Coefficient A			2.67470e+02
Coefficient B			2.88840e-02
Coefficient C			5.47280e-04
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			333.50
Temperature range, max.			583.15
Cp,liquid	337.97	J/mol×K	333.50	Calculated Property
Cp,liquid	349.32	J/mol×K	361.24	Calculated Property
Cp,liquid	361.51	J/mol×K	388.98	Calculated Property
Cp,liquid	374.54	J/mol×K	416.72	Calculated Property
Cp,liquid	388.42	J/mol×K	444.46	Calculated Property
Cp,liquid	403.13	J/mol×K	472.19	Calculated Property
Cp,liquid	418.69	J/mol×K	499.93	Calculated Property
Cp,liquid	435.09	J/mol×K	527.67	Calculated Property
Cp,liquid	452.34	J/mol×K	555.41	Calculated Property
Cp,liquid	470.42	J/mol×K	583.15	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022516; 0.0001399]	Pa×s	[333.50; 729.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.08320e+01
Coefficient B			1.65930e+03
Coefficient C			-3.90170e-02
Coefficient D			-1.15430e-07
Coefficient E			2.00000e+00
Temperature range, min.			333.50
Temperature range, max.			729.00
η	0.0022516	Pa×s	333.50	Calculated Property
η	0.0012510	Pa×s	377.44	Calculated Property
η	0.0007844	Pa×s	421.39	Calculated Property
η	0.0005363	Pa×s	465.33	Calculated Property
η	0.0003909	Pa×s	509.28	Calculated Property
η	0.0002992	Pa×s	553.22	Calculated Property
η	0.0002378	Pa×s	597.17	Calculated Property
η	0.0001948	Pa×s	641.11	Calculated Property
η	0.0001635	Pa×s	685.06	Calculated Property
η	0.0001399	Pa×s	729.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[89.90; 0.00]	kJ/mol	[333.50; 829.80]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			1.18050e+02
Coefficient B			4.62780e-01
Coefficient C			2.57640e-01
Coefficient D			-2.24020e-01
Coefficient E			-1.24370e-03
Critical temperature, Tc (K)			8.29800e+02
Temperature range, min.			333.50
Temperature range, max.			829.80
ΔvapH	89.90	kJ/mol	333.50	Calculated Property
ΔvapH	84.24	kJ/mol	388.64	Calculated Property
ΔvapH	78.31	kJ/mol	443.79	Calculated Property
ΔvapH	72.09	kJ/mol	498.93	Calculated Property
ΔvapH	65.51	kJ/mol	554.08	Calculated Property
ΔvapH	58.44	kJ/mol	609.22	Calculated Property
ΔvapH	50.64	kJ/mol	664.37	Calculated Property
ΔvapH	41.59	kJ/mol	719.51	Calculated Property
ΔvapH	29.86	kJ/mol	774.66	Calculated Property
ΔvapH	0.00	kJ/mol	829.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[5.19e-06; 3569.00]	kPa	[333.50; 770.81]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			9.20646e+02
Coefficient B			-5.93202e+04
Coefficient C			-1.31107e+02
Coefficient D			6.06250e-05
Coefficient E			2.00000e+00
Comment			Range stopped where the equation exceeds Pc; ChemSep gives it to 829.8 K.
Temperature range, min.			333.50
Temperature range, max.			770.81
Pvap	5.19e-06	kPa	333.50	Calculated Property
Pvap	5.12e-03	kPa	382.09	Calculated Property
Pvap	0.35	kPa	430.68	Calculated Property
Pvap	4.81	kPa	479.27	Calculated Property
Pvap	26.32	kPa	527.86	Calculated Property
Pvap	85.72	kPa	576.45	Calculated Property
Pvap	217.04	kPa	625.04	Calculated Property
Pvap	510.80	kPa	673.63	Calculated Property
Pvap	1262.63	kPa	722.22	Calculated Property
Pvap	3569.00	kPa	770.81	Calculated Property
Pvap	[0.13; 101.48]	kPa	[404.80; 583.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			2.02006e+01
Coefficient B			-9.30223e+03
Coefficient C			1.40340e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			404.80
Temperature range, max.			583.00
Pvap	0.13	kPa	404.80	Calculated Property
Pvap	0.37	kPa	424.60	Calculated Property
Pvap	0.91	kPa	444.40	Calculated Property
Pvap	2.12	kPa	464.20	Calculated Property
Pvap	4.58	kPa	484.00	Calculated Property
Pvap	9.36	kPa	503.80	Calculated Property
Pvap	18.15	kPa	523.60	Calculated Property
Pvap	33.55	kPa	543.40	Calculated Property
Pvap	59.47	kPa	563.20	Calculated Property
Pvap	101.48	kPa	583.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1051.56; 373.99]	kg/m3	[333.50; 829.80]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			1.12946e+02
Coefficient B			3.02000e-01
Coefficient C			8.29800e+02
Coefficient D			2.85710e-01
Temperature range, min.			333.50
Temperature range, max.			829.80
ρl	1051.56	kg/m3	333.50	Calculated Property
ρl	1016.20	kg/m3	388.64	Calculated Property
ρl	978.88	kg/m3	443.79	Calculated Property
ρl	939.13	kg/m3	498.93	Calculated Property
ρl	896.25	kg/m3	554.08	Calculated Property
ρl	849.15	kg/m3	609.22	Calculated Property
ρl	795.95	kg/m3	664.37	Calculated Property
ρl	732.83	kg/m3	719.51	Calculated Property
ρl	649.41	kg/m3	774.66	Calculated Property
ρl	373.99	kg/m3	829.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.05; 0.00]	N/m	[333.50; 829.80]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is γ in N/m, T in K
Coefficient A			8.60000e-02
Coefficient B			1.22200e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			8.29800e+02
Temperature range, min.			333.50
Temperature range, max.			829.80
γ	0.05	N/m	333.50	Calculated Property
γ	0.04	N/m	388.64	Calculated Property
γ	0.03	N/m	443.79	Calculated Property
γ	0.03	N/m	498.93	Calculated Property
γ	0.02	N/m	554.08	Calculated Property
γ	0.02	N/m	609.22	Calculated Property
γ	0.01	N/m	664.37	Calculated Property
γ	0.01	N/m	719.51	Calculated Property
γ	0.00	N/m	774.66	Calculated Property
γ	0.00	N/m	829.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.05]	W/m×K	[333.50; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			2.19360e-06
Coefficient B			1.44530e+00
Coefficient C			-1.28480e+02
Coefficient D			4.66040e+04
Temperature range, min.			333.50
Temperature range, max.			1000.00
λgas	0.01	W/m×K	333.50	Calculated Property
λgas	0.01	W/m×K	407.56	Calculated Property
λgas	0.02	W/m×K	481.61	Calculated Property
λgas	0.02	W/m×K	555.67	Calculated Property
λgas	0.03	W/m×K	629.72	Calculated Property
λgas	0.03	W/m×K	703.78	Calculated Property
λgas	0.04	W/m×K	777.83	Calculated Property
λgas	0.04	W/m×K	851.89	Calculated Property
λgas	0.05	W/m×K	925.94	Calculated Property
λgas	0.05	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.13; 0.09]	W/m×K	[333.50; 583.15]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			-4.07620e-02
Coefficient B			-5.22690e+01
Coefficient C			-1.20130e+00
Coefficient D			-1.17200e-03
Coefficient E			-1.62470e-07
Temperature range, min.			333.50
Temperature range, max.			583.15
λliquid	0.13	W/m×K	333.50	Calculated Property
λliquid	0.13	W/m×K	361.24	Calculated Property
λliquid	0.12	W/m×K	388.98	Calculated Property
λliquid	0.12	W/m×K	416.72	Calculated Property
λliquid	0.11	W/m×K	444.46	Calculated Property
λliquid	0.11	W/m×K	472.19	Calculated Property
λliquid	0.10	W/m×K	499.93	Calculated Property
λliquid	0.10	W/m×K	527.67	Calculated Property
λliquid	0.10	W/m×K	555.41	Calculated Property
λliquid	0.09	W/m×K	583.15	Calculated Property

Similar Compounds

Find more compounds similar to Disulfide, diphenyl.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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