Chemical Properties of 2-Tert-pentylperoxyethanol (CAS 51452-08-5)

InChI

InChI=1S/C7H16O3/c1-4-7(2,3)10-9-6-5-8/h8H,4-6H2,1-3H3

InChI Key

IMQAXPAGPCAQIU-UHFFFAOYSA-N

Formula

C7H16O3

SMILES

CCC(C)(C)OOCCO

Molecular Weight¹

148.20

CAS

51452-08-5

• 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_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[195.83; 437.60]	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			2.83430e+01
Coefficient B			7.02260e-01
Coefficient C			-3.37200e-04
Coefficient D			4.42000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	195.83	J/mol×K	273.00	Calculated Property
Cp,gas	236.54	J/mol×K	353.78	Calculated Property
Cp,gas	273.46	J/mol×K	434.56	Calculated Property
Cp,gas	306.74	J/mol×K	515.33	Calculated Property
Cp,gas	336.51	J/mol×K	596.11	Calculated Property
Cp,gas	362.91	J/mol×K	676.89	Calculated Property
Cp,gas	386.07	J/mol×K	757.67	Calculated Property
Cp,gas	406.15	J/mol×K	838.44	Calculated Property
Cp,gas	423.28	J/mol×K	919.22	Calculated Property
Cp,gas	437.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0184174; 0.0001767]	Pa×s	[276.35; 464.12]	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			-1.54794e+01
Coefficient B			3.17387e+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.			276.35
Temperature range, max.			464.12
η	0.0184174	Pa×s	276.35	Calculated Property
η	0.0082244	Pa×s	297.21	Calculated Property
η	0.0040823	Pa×s	318.08	Calculated Property
η	0.0022088	Pa×s	338.94	Calculated Property
η	0.0012834	Pa×s	359.80	Calculated Property
η	0.0007914	Pa×s	380.67	Calculated Property
η	0.0005131	Pa×s	401.53	Calculated Property
η	0.0003473	Pa×s	422.39	Calculated Property
η	0.0002438	Pa×s	443.25	Calculated Property
η	0.0001767	Pa×s	464.12	Calculated Property

Similar Compounds

Find more compounds similar to 2-Tert-pentylperoxyethanol.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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