Chemical Properties of Peroxide, diethyl (CAS 628-37-5)

InChI

InChI=1S/C4H10O2/c1-3-5-6-4-2/h3-4H2,1-2H3

InChI Key

RHMZKSWPMYAOAZ-UHFFFAOYSA-N

Formula

C4H10O2

SMILES

CCOOCC

Molecular Weight¹

90.12

CAS

628-37-5

Other Names

• Diethyl peroxide
• Ethyl peroxide

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°_liquid : Liquid phase 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).
• 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	0.3962		Relay (1.0) Calculated Property
ΔcH°liquid	[-2780.00; -2697.90]	kJ/mol
ΔcH°liquid	-2780.00 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-2771.00	kJ/mol	NIST
ΔcH°liquid	-2697.90 ± 0.84	kJ/mol	NIST
ΔfG°	-227.20	kJ/mol	Joback Calculated Property
ΔfH°gas	[-280.00; -193.00]	kJ/mol
ΔfH°gas	-193.00	kJ/mol	NIST
ΔfH°gas	-200.00	kJ/mol	NIST
ΔfH°gas	-280.00	kJ/mol	NIST
ΔfH°liquid	[-233.00; -223.00]	kJ/mol
ΔfH°liquid	-223.00	kJ/mol	NIST
ΔfH°liquid	-233.00	kJ/mol	NIST
ΔfusH°	8.49	kJ/mol	Joback Calculated Property
ΔvapH°	[30.00; 33.00]	kJ/mol
ΔvapH°	31.00	kJ/mol	NIST
ΔvapH°	30.00	kJ/mol	NIST
ΔvapH°	33.00	kJ/mol	NIST
ΔvapH°	30.50	kJ/mol	NIST
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-0.64		Relay (1.0) Calculated Property
logPoct/wat	0.974		Crippen Calculated Property
McVol	78.960	ml/mol	McGowan Calculated Property
Pc	3736.23	kPa	Joback Calculated Property
Tboil	338.20	K	Relay (1.0) Calculated Property
Tc	505.67	K	Relay (1.0) Calculated Property
Tfus	203.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.318	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[29.00; 29.00]	kJ/mol	[253.00; 293.00]
ΔvapH	29.00	kJ/mol	253.00	NIST
ΔvapH	29.00	kJ/mol	293.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[121.15; 262.69]	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			5.02520e+01
Coefficient B			2.57440e-01
Coefficient C			2.82000e-05
Coefficient D			-7.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	121.15	J/mol×K	273.00	Calculated Property
Cp,gas	141.62	J/mol×K	353.78	Calculated Property
Cp,gas	161.44	J/mol×K	434.56	Calculated Property
Cp,gas	180.39	J/mol×K	515.33	Calculated Property
Cp,gas	198.23	J/mol×K	596.11	Calculated Property
Cp,gas	214.73	J/mol×K	676.89	Calculated Property
Cp,gas	229.66	J/mol×K	757.67	Calculated Property
Cp,gas	242.78	J/mol×K	838.44	Calculated Property
Cp,gas	253.87	J/mol×K	919.22	Calculated Property
Cp,gas	262.69	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012008; 0.0001743]	Pa×s	[203.15; 350.90]	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			-1.13088e+01
Coefficient B			9.31260e+02
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.			203.15
Temperature range, max.			350.90
η	0.0012008	Pa×s	203.15	Calculated Property
η	0.0008524	Pa×s	219.57	Calculated Property
η	0.0006346	Pa×s	235.98	Calculated Property
η	0.0004909	Pa×s	252.40	Calculated Property
η	0.0003919	Pa×s	268.82	Calculated Property
η	0.0003210	Pa×s	285.23	Calculated Property
η	0.0002688	Pa×s	301.65	Calculated Property
η	0.0002292	Pa×s	318.07	Calculated Property
η	0.0001985	Pa×s	334.48	Calculated Property
η	0.0001743	Pa×s	350.90	Calculated Property

Similar Compounds

Find more compounds similar to Peroxide, diethyl.

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

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