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

• 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_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
ω	0.5899		Relay (1.0) Calculated Property
ΔcH°liquid	-4052.00 ± 3.00	kJ/mol	NIST
ΔfG°	-244.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-272.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.05	kJ/mol	Joback Calculated Property
ΔvapH°	54.09	kJ/mol	Relay (1.0) Calculated Property
IE	[9.25; 9.96]	eV
IE	9.25 ± 0.03	eV	NIST
IE	9.96	eV	NIST
log10WS	-0.98		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
Tboil	401.08	K	Relay (1.0) Calculated Property
Tc	607.03	K	Relay (1.0) Calculated Property
Tfus	250.18	K	Relay (1.0) Calculated Property
Vc	0.404	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[160.36; 366.58]	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			2.65430e+01
Coefficient B			5.50540e-01
Coefficient C			-2.25200e-04
Coefficient D			1.47000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	160.36	J/mol×K	273.00	Calculated Property
Cp,gas	193.78	J/mol×K	353.78	Calculated Property
Cp,gas	224.46	J/mol×K	434.56	Calculated Property
Cp,gas	252.46	J/mol×K	515.33	Calculated Property
Cp,gas	277.82	J/mol×K	596.11	Calculated Property
Cp,gas	300.57	J/mol×K	676.89	Calculated Property
Cp,gas	320.78	J/mol×K	757.67	Calculated Property
Cp,gas	338.49	J/mol×K	838.44	Calculated Property
Cp,gas	353.74	J/mol×K	919.22	Calculated Property
Cp,gas	366.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0820702; 0.0002414]	Pa×s	[225.43; 431.01]	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			-1.47208e+01
Coefficient B			2.75490e+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.			225.43
Temperature range, max.			431.01
η	0.0820702	Pa×s	225.43	Calculated Property
η	0.0266616	Pa×s	248.27	Calculated Property
η	0.0104681	Pa×s	271.11	Calculated Property
η	0.0047528	Pa×s	293.96	Calculated Property
η	0.0024181	Pa×s	316.80	Calculated Property
η	0.0013474	Pa×s	339.64	Calculated Property
η	0.0008082	Pa×s	362.48	Calculated Property
η	0.0005150	Pa×s	385.32	Calculated Property
η	0.0003452	Pa×s	408.17	Calculated Property
η	0.0002414	Pa×s	431.01	Calculated Property

Similar Compounds

Find more compounds similar to Hydroperoxide, 1-methylpentyl.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.