Chemical Properties of Hydroperoxide, 1-ethylbutyl (CAS 24254-56-6)

InChI

InChI=1S/C6H14O2/c1-3-5-6(4-2)8-7/h6-7H,3-5H2,1-2H3

InChI Key

NMNOLZYZNVYLRJ-UHFFFAOYSA-N

Formula

C6H14O2

SMILES

CCCC(CC)OO

Molecular Weight¹

118.17

CAS

24254-56-6

Other Names

• 1-Ethylbutyl hydroperoxide
• 3-Hexyl hydroperoxide
• 3-Hydroperoxyhexane

• 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_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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-4057.00	kJ/mol	NIST
ΔfH°gas	-259.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.05	kJ/mol	Joback Calculated Property
ΔvapH°	53.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-0.87		Relay (1.0) Calculated Property
logPoct/wat	2.055		Crippen Calculated Property
McVol	107.140	ml/mol	McGowan Calculated Property
Pc	3415.86	kPa	Joback Calculated Property
Inp	[965.00; 965.00]
Inp	965.00		NIST
Inp	965.00		NIST
Tboil	401.80	K	Relay (1.0) Calculated Property
Tc	608.70	K	Relay (1.0) Calculated Property
Vc	0.394	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[230.32; 283.50]	J/mol×K	[450.84; 615.45]
Cp,gas	230.32	J/mol×K	450.84	Joback Calculated Property
Cp,gas	239.95	J/mol×K	478.28	Joback Calculated Property
Cp,gas	249.26	J/mol×K	505.71	Joback Calculated Property
Cp,gas	258.28	J/mol×K	533.15	Joback Calculated Property
Cp,gas	266.99	J/mol×K	560.58	Joback Calculated Property
Cp,gas	275.39	J/mol×K	588.02	Joback Calculated Property
Cp,gas	283.50	J/mol×K	615.45	Joback Calculated Property
η	[0.0001822; 0.0820702]	Pa×s	[225.43; 450.84]
η	0.0820702	Pa×s	225.43	Joback Calculated Property
η	0.0143235	Pa×s	263.00	Joback Calculated Property
η	0.0038675	Pa×s	300.57	Joback Calculated Property
η	0.0013969	Pa×s	338.13	Joback Calculated Property
η	0.0006185	Pa×s	375.70	Joback Calculated Property
η	0.0003176	Pa×s	413.27	Joback Calculated Property
η	0.0001822	Pa×s	450.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Hydroperoxide, 1-ethylbutyl.

Sources

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

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