Chemical Properties of Hydroperoxide, 1-methylbutyl

InChI

InChI=1S/C5H12O2/c1-3-4-5(2)7-6/h5-6H,3-4H2,1-2H3

InChI Key

XRIRVAYMWUMXBR-UHFFFAOYSA-N

Formula

C5H12O2

SMILES

CCCC(C)OO

Molecular Weight¹

104.15

Other Names

• 2-Hydroperoxypentane
• n-C3H7CH(CH3)OOH

• ω : Acentric Factor.
• 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).
• I_np : Non-polar retention indices.
• 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	0.5555		Relay (1.0) Calculated Property
ΔfG°	-253.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-248.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.46	kJ/mol	Joback Calculated Property
ΔvapH°	50.09	kJ/mol	Relay (1.0) Calculated Property
IE	[9.35; 10.05]	eV
IE	9.35 ± 0.03	eV	NIST
IE	10.05	eV	NIST
log10WS	-0.42		Relay (1.0) Calculated Property
logPoct/wat	1.665		Crippen Calculated Property
McVol	93.050	ml/mol	McGowan Calculated Property
Pc	3834.03	kPa	Joback Calculated Property
Inp	[855.00; 855.00]
Inp	855.00		NIST
Inp	855.00		NIST
Tboil	378.59	K	Relay (1.0) Calculated Property
Tc	585.75	K	Relay (1.0) Calculated Property
Tfus	229.52	K	Relay (1.0) Calculated Property
Vc	0.348	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.14; 314.99]	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			2.74520e+01
Coefficient B			4.55540e-01
Coefficient C			-1.70800e-04
Coefficient D			2.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	139.14	J/mol×K	273.00	Calculated Property
Cp,gas	167.36	J/mol×K	353.78	Calculated Property
Cp,gas	193.39	J/mol×K	434.56	Calculated Property
Cp,gas	217.23	J/mol×K	515.33	Calculated Property
Cp,gas	238.90	J/mol×K	596.11	Calculated Property
Cp,gas	258.41	J/mol×K	676.89	Calculated Property
Cp,gas	275.77	J/mol×K	757.67	Calculated Property
Cp,gas	290.98	J/mol×K	838.44	Calculated Property
Cp,gas	304.05	J/mol×K	919.22	Calculated Property
Cp,gas	314.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1081645; 0.0002624]	Pa×s	[214.16; 415.57]	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			-1.46482e+01
Coefficient B			2.66074e+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.			214.16
Temperature range, max.			415.57
η	0.1081645	Pa×s	214.16	Calculated Property
η	0.0333880	Pa×s	236.54	Calculated Property
η	0.0126283	Pa×s	258.92	Calculated Property
η	0.0055755	Pa×s	281.30	Calculated Property
η	0.0027769	Pa×s	303.68	Calculated Property
η	0.0015219	Pa×s	326.06	Calculated Property
η	0.0009011	Pa×s	348.44	Calculated Property
η	0.0005683	Pa×s	370.81	Calculated Property
η	0.0003778	Pa×s	393.19	Calculated Property
η	0.0002624	Pa×s	415.57	Calculated Property

Similar Compounds

Find more compounds similar to Hydroperoxide, 1-methylbutyl.

Sources

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

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