Chemical Properties of dibenzoyl peroxide

InChI

InChI=1S/C14H10O4/c15-13(11-7-3-1-4-8-11)17-18-14(16)12-9-5-2-6-10-12/h1-10H

InChI Key

OMPJBNCRMGITSC-UHFFFAOYSA-N

Formula

C14H10O4

SMILES

O=C(OOC(=O)c1ccccc1)c1ccccc1

Molecular Weight¹

242.23

Other Names

• Abcure S-40-25
• Acne-Aid Cream
• Acnegel
• Akneroxid 5
• Akneroxid L
• Akneroxide L
• Asidopan
• Aztec BPO
• BPO
• BZF-60
• Benzac
• Benzac W
• Benzagel 10
• Benzaknen
• Benzaknew
• Benzoic acid, peroxide
• Benzol peroxide
• Benzoyl peroxyde
• Benzoylperoxid
• Brevoxyl
• Cadet
• Cadet BPO 78W
• Cadox
• Cadox 40E
• Cadox B
• Cadox BS
• Clear By Design
• Clearasil BP acne treatment
• Clearasil benzoyl peroxide lotion
• Cuticura acne cream
• Debroxide
• Dermoxyl
• Desanden
• Desquam E
• Dibenzoylperoxid
• Dibenzoylperoxyde
• Diphenylglyoxal peroxide
• Dry and Clear
• Duresthin 5
• Eloxyl
• Epi-Clear
• Fostex
• G20
• Garox
• Incidol
• Loroxide
• Lucidol
• Lucidol (peroxide)
• Lucidol 75FP
• Lucidol 78
• Lucidol B 50
• Lucidol G 20
• Luperco
• Luperco AA
• Luperco AST
• Luperox FL
• Luzidol
• Mytolac
• NA 2085 (DOT)
• NSC 675
• Nayper B and BO
• Nayper BO
• Nericur
• Norox bzp-250
• Norox bzp-C-35
• Novadelox
• Nyper B
• Nyper BMT
• OXY WASH
• OXY-10
• Oxy 5
• Oxy-L
• Oxylite
• Panoxyl
• Perkadox 20S
• Perossido di benzoile
• Peroxide, dibenzoyl
• Peroxyde de benzoyle
• Peroxyderm
• Peroxydex
• Persa-Gel
• Persadox
• Preoxydex
• Quinolor compound
• Resdan Akne
• Sanoxit
• Superox
• Theraderm
• Topex
• Triaz
• UN 2085 (DOT)
• UN 2086
• UN 2088
• Vanoxide
• W 75
• Xerac
• Xerac BP 10
• Xerac BP 5
• acetoxyl
• benoxyl
• benzoperoxide
• benzoyl peroxide
• benzoyl superoxide

• ω : Acentric Factor.
• 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_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.9136		ChemSep v8.3 pure component data Compiled value
μ	1.60	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	-108.80	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-296.00	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfusH°	28.84	kJ/mol	Joback Calculated Property
ΔvapH°	100.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-3.61		Relay (1.0) Calculated Property
logPoct/wat	2.615		Crippen Calculated Property
McVol	175.480	ml/mol	McGowan Calculated Property
Pc	2570.00	kPa	ChemSep v8.3 pure component data Compiled value
Ptriple	2.44e-04	kPa	ChemSep v8.3 pure component data Compiled value
Tboil	669.00	K	ChemSep v8.3 pure component data Compiled value
Tc	884.00	K	ChemSep v8.3 pure component data Compiled value
Tfus	[378.15; 380.00]	K
Tfus	378.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	380.00	K	ChemSep v8.3 pure component data Compiled value
Ttriple	[377.75; 378.00]	K
Ttriple	377.75	K	Thermal behavior of benzoyl peroxide mixed with NaOH solution
Ttriple	378.00	K	ChemSep v8.3 pure component data Compiled value
UQi	5.47		ChemSep v8.3 pure component data Compiled value
URi	7.51		ChemSep v8.3 pure component data Compiled value
Vc	0.643	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2510000		ChemSep v8.3 pure component data Compiled value

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[152.66; 572.65]	J/mol×K	[255.00; 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			5.00000e+01
Coefficient B			-5.00000e+02
Coefficient C			6.59224e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			255.00
Temperature range, max.			1500.00
Cp,gas	152.66	J/mol×K	255.00	Calculated Property
Cp,gas	254.60	J/mol×K	393.33	Calculated Property
Cp,gas	334.81	J/mol×K	531.67	Calculated Property
Cp,gas	395.84	J/mol×K	670.00	Calculated Property
Cp,gas	442.95	J/mol×K	808.33	Calculated Property
Cp,gas	480.12	J/mol×K	946.67	Calculated Property
Cp,gas	510.09	J/mol×K	1085.00	Calculated Property
Cp,gas	534.70	J/mol×K	1223.33	Calculated Property
Cp,gas	555.25	J/mol×K	1361.67	Calculated Property
Cp,gas	572.65	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[365.95; 507.24]	J/mol×K	[442.00; 662.00]	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			8.21000e+01
Coefficient B			6.42200e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			442.00
Temperature range, max.			662.00
Cp,liquid	365.95	J/mol×K	442.00	Calculated Property
Cp,liquid	381.65	J/mol×K	466.44	Calculated Property
Cp,liquid	397.35	J/mol×K	490.89	Calculated Property
Cp,liquid	413.05	J/mol×K	515.33	Calculated Property
Cp,liquid	428.75	J/mol×K	539.78	Calculated Property
Cp,liquid	444.44	J/mol×K	564.22	Calculated Property
Cp,liquid	460.14	J/mol×K	588.67	Calculated Property
Cp,liquid	475.84	J/mol×K	613.11	Calculated Property
Cp,liquid	491.54	J/mol×K	637.56	Calculated Property
Cp,liquid	507.24	J/mol×K	662.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018159; 0.0001448]	Pa×s	[379.07; 618.80]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.28401e+01
Coefficient B			2.47496e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			379.07
Temperature range, max.			618.80
η	0.0018159	Pa×s	379.07	Calculated Property
η	0.0011829	Pa×s	405.71	Calculated Property
η	0.0008123	Pa×s	432.35	Calculated Property
η	0.0005827	Pa×s	458.98	Calculated Property
η	0.0004335	Pa×s	485.62	Calculated Property
η	0.0003326	Pa×s	512.26	Calculated Property
η	0.0002619	Pa×s	538.89	Calculated Property
η	0.0002110	Pa×s	565.53	Calculated Property
η	0.0001733	Pa×s	592.16	Calculated Property
η	0.0001448	Pa×s	618.80	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[103.57; 0.00]	kJ/mol	[378.00; 884.00]	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			1.28630e+02
Coefficient B			3.88400e-01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			8.84000e+02
Temperature range, min.			378.00
Temperature range, max.			884.00
ΔvapH	103.57	kJ/mol	378.00	Calculated Property
ΔvapH	98.94	kJ/mol	434.22	Calculated Property
ΔvapH	93.94	kJ/mol	490.44	Calculated Property
ΔvapH	88.48	kJ/mol	546.67	Calculated Property
ΔvapH	82.43	kJ/mol	602.89	Calculated Property
ΔvapH	75.59	kJ/mol	659.11	Calculated Property
ΔvapH	67.60	kJ/mol	715.33	Calculated Property
ΔvapH	57.75	kJ/mol	771.56	Calculated Property
ΔvapH	44.12	kJ/mol	827.78	Calculated Property
ΔvapH	0.00	kJ/mol	884.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[2.44e-04; 2571.07]	kPa	[378.00; 884.00]	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			1.13402e+02
Coefficient B			-1.74630e+04
Coefficient C			-1.27260e+01
Coefficient D			1.13860e-18
Coefficient E			6.00000e+00
Temperature range, min.			378.00
Temperature range, max.			884.00
Pvap	2.44e-04	kPa	378.00	Calculated Property
Pvap	0.02	kPa	434.22	Calculated Property
Pvap	0.36	kPa	490.44	Calculated Property
Pvap	3.54	kPa	546.67	Calculated Property
Pvap	20.55	kPa	602.89	Calculated Property
Pvap	81.27	kPa	659.11	Calculated Property
Pvap	244.11	kPa	715.33	Calculated Property
Pvap	602.63	kPa	771.56	Calculated Property
Pvap	1299.29	kPa	827.78	Calculated Property
Pvap	2571.07	kPa	884.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[1097.29; 337.55]	kg/m3	[378.00; 884.00]	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			8.46971e+01
Coefficient B			2.50920e-01
Coefficient C			8.84000e+02
Coefficient D			2.85710e-01
Temperature range, min.			378.00
Temperature range, max.			884.00
ρl	1097.29	kg/m3	378.00	Calculated Property
ρl	1055.31	kg/m3	434.22	Calculated Property
ρl	1011.22	kg/m3	490.44	Calculated Property
ρl	964.53	kg/m3	546.67	Calculated Property
ρl	914.47	kg/m3	602.89	Calculated Property
ρl	859.88	kg/m3	659.11	Calculated Property
ρl	798.72	kg/m3	715.33	Calculated Property
ρl	726.90	kg/m3	771.56	Calculated Property
ρl	633.32	kg/m3	827.78	Calculated Property
ρl	337.55	kg/m3	884.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.00]	N/m	[378.00; 884.00]	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			6.69200e-02
Coefficient B			1.20330e+00
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Critical temperature, Tc (K)			8.84000e+02
Temperature range, min.			378.00
Temperature range, max.			884.00
γ	0.03	N/m	378.00	Calculated Property
γ	0.03	N/m	434.22	Calculated Property
γ	0.03	N/m	490.44	Calculated Property
γ	0.02	N/m	546.67	Calculated Property
γ	0.02	N/m	602.89	Calculated Property
γ	0.01	N/m	659.11	Calculated Property
γ	0.01	N/m	715.33	Calculated Property
γ	0.01	N/m	771.56	Calculated Property
γ	0.00	N/m	827.78	Calculated Property
γ	0.00	N/m	884.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.02; 0.04]	W/m×K	[669.00; 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			8.82000e-05
Coefficient B			9.72900e-01
Coefficient C			8.26000e+02
Coefficient D			0.00000e+00
Temperature range, min.			669.00
Temperature range, max.			1000.00
λgas	0.02	W/m×K	669.00	Calculated Property
λgas	0.02	W/m×K	705.78	Calculated Property
λgas	0.03	W/m×K	742.56	Calculated Property
λgas	0.03	W/m×K	779.33	Calculated Property
λgas	0.03	W/m×K	816.11	Calculated Property
λgas	0.03	W/m×K	852.89	Calculated Property
λgas	0.03	W/m×K	889.67	Calculated Property
λgas	0.04	W/m×K	926.44	Calculated Property
λgas	0.04	W/m×K	963.22	Calculated Property
λgas	0.04	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.10; 0.07]	W/m×K	[378.00; 669.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is λliquid in W/m×K, T in K
Coefficient A			1.47000e-01
Coefficient B			-1.22320e-04
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			378.00
Temperature range, max.			669.00
λliquid	0.10	W/m×K	378.00	Calculated Property
λliquid	0.10	W/m×K	410.33	Calculated Property
λliquid	0.09	W/m×K	442.67	Calculated Property
λliquid	0.09	W/m×K	475.00	Calculated Property
λliquid	0.08	W/m×K	507.33	Calculated Property
λliquid	0.08	W/m×K	539.67	Calculated Property
λliquid	0.08	W/m×K	572.00	Calculated Property
λliquid	0.07	W/m×K	604.33	Calculated Property
λliquid	0.07	W/m×K	636.67	Calculated Property
λliquid	0.07	W/m×K	669.00	Calculated Property

Similar Compounds

Find more compounds similar to dibenzoyl peroxide.

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
• Thermal behavior of benzoyl peroxide mixed with NaOH solution
• Joback Method
• McGowan Method
• NIST Webbook

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