Chemical Properties of 3-Hydroperoxy-n-heptane

InChI

InChI=1S/C7H16O2/c1-3-5-6-7(4-2)9-8/h7-8H,3-6H2,1-2H3

InChI Key

RCPMMXGHMBPBLI-UHFFFAOYSA-N

Formula

C7H16O2

SMILES

CCCCC(CC)OO

Molecular Weight¹

132.20

• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.57; 418.17]	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			2.56340e+01
Coefficient B			6.45540e-01
Coefficient C			-2.79600e-04
Coefficient D			2.66000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.57	J/mol×K	273.00	Calculated Property
Cp,gas	220.20	J/mol×K	353.78	Calculated Property
Cp,gas	255.54	J/mol×K	434.56	Calculated Property
Cp,gas	287.69	J/mol×K	515.33	Calculated Property
Cp,gas	316.73	J/mol×K	596.11	Calculated Property
Cp,gas	342.74	J/mol×K	676.89	Calculated Property
Cp,gas	365.80	J/mol×K	757.67	Calculated Property
Cp,gas	386.01	J/mol×K	838.44	Calculated Property
Cp,gas	403.44	J/mol×K	919.22	Calculated Property
Cp,gas	418.17	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0625947; 0.0002192]	Pa×s	[236.70; 446.40]	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			-1.48077e+01
Coefficient B			2.84906e+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.			236.70
Temperature range, max.			446.40
η	0.0625947	Pa×s	236.70	Calculated Property
η	0.0212850	Pa×s	260.00	Calculated Property
η	0.0086430	Pa×s	283.30	Calculated Property
η	0.0040249	Pa×s	306.60	Calculated Property
η	0.0020880	Pa×s	329.90	Calculated Property
η	0.0011811	Pa×s	353.20	Calculated Property
η	0.0007170	Pa×s	376.50	Calculated Property
η	0.0004613	Pa×s	399.80	Calculated Property
η	0.0003116	Pa×s	423.10	Calculated Property
η	0.0002192	Pa×s	446.40	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroperoxy-n-heptane.

Sources

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

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