Chemical Properties of Hydroperoxide, 1-methylpentyl (CAS 24254-55-5)

InChI

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

InChI Key

XWXUHAUZCICPHE-UHFFFAOYSA-N

Formula

C6H14O2

SMILES

CCCCC(C)OO

Molecular Weight¹

118.17

CAS

24254-55-5

Other Names

• 2-Hexyl hydroperoxide
• 1-Methylpentyl hydroperoxide
• n-C4H9CH(CH3)OOH
• 2-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_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).
• 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°liquid	-4052.00 ± 3.00	kJ/mol	NIST
ΔfG°	-244.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-456.90	kJ/mol	Joback Calculated Property
ΔfusH°	13.05	kJ/mol	Joback Calculated Property
ΔvapH°	47.65	kJ/mol	Joback Calculated Property
IE	[9.25; 9.96]	eV
IE	9.25 ± 0.03	eV	NIST
IE	9.96	eV	NIST
log10WS	-1.85		Crippen Calculated Property
logPoct/wat	2.055		Crippen Calculated Property
McVol	107.140	ml/mol	McGowan Calculated Property
Pc	3415.86	kPa	Joback Calculated Property
Tboil	450.84	K	Joback Calculated Property
Tc	615.45	K	Joback Calculated Property
Tfus	225.43	K	Joback Calculated Property
Vc	0.403	m3/kmol	Joback Calculated Property

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-methylpentyl.

Sources

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

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