Chemical Properties of 2-Pinen-10-hydroxyperoxide

InChI

InChI=1S/C10H16O2/c1-10(2)8-4-3-7(6-12-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3

InChI Key

WTHZUPXTUUVVBK-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC1(C)C2CC=C(COO)C1C2

Molecular Weight¹

168.23

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.71	kJ/mol	Joback Calculated Property
ΔvapH°	71.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.65	eV	Relay (1.0) Calculated Property
logPoct/wat	2.468		Crippen Calculated Property
McVol	137.480	ml/mol	McGowan Calculated Property
Inp	[1629.00; 1629.00]
Inp	1629.00		NIST
Inp	1629.00		NIST
Tboil	499.30	K	Relay (1.0) Calculated Property
Tfus	331.54	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[188.16; 513.31]	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			-1.02989e+02
Coefficient B			1.36674e+00
Coefficient C			-1.23104e-03
Coefficient D			4.80600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	188.16	J/mol×K	273.00	Calculated Property
Cp,gas	247.74	J/mol×K	353.78	Calculated Property
Cp,gas	297.91	J/mol×K	434.56	Calculated Property
Cp,gas	340.19	J/mol×K	515.33	Calculated Property
Cp,gas	376.10	J/mol×K	596.11	Calculated Property
Cp,gas	407.16	J/mol×K	676.89	Calculated Property
Cp,gas	434.89	J/mol×K	757.67	Calculated Property
Cp,gas	460.81	J/mol×K	838.44	Calculated Property
Cp,gas	486.45	J/mol×K	919.22	Calculated Property
Cp,gas	513.31	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pinen-10-hydroxyperoxide.

Sources

• Cheméo Relay (1.0)
• 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

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.
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