Chemical Properties of Piperitenone oxide (CAS 35178-55-3)

InChI

InChI=1S/C10H14O2/c1-6(2)7-4-5-10(3)9(12-10)8(7)11/h9H,4-5H2,1-3H3

InChI Key

AKASWINDKIEEBO-UHFFFAOYSA-N

Formula

C10H14O2

SMILES

CC(C)=C1CCC2(C)OC2C1=O

Molecular Weight¹

166.22

CAS

35178-55-3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	16.03	kJ/mol	Joback Calculated Property
logPoct/wat	1.843		Crippen Calculated Property
McVol	133.180	ml/mol	McGowan Calculated Property
Inp	[1317.00; 1386.00]
Inp	1352.00		NIST
Inp	1363.00		NIST
Inp	1342.00		NIST
Inp	1368.00		NIST
Inp	1363.00		NIST
Inp	1366.00		NIST
Inp	1365.00		NIST
Inp	1373.00		NIST
Inp	1368.00		NIST
Inp	1363.00		NIST
Inp	1326.00		NIST
Inp	1333.00		NIST
Inp	1369.00		NIST
Inp	1386.00		NIST
Inp	1369.00		NIST
Inp	1363.00		NIST
Inp	Outlier 1317.00		NIST
Inp	1369.00		NIST
Inp	1330.00		NIST
Inp	1366.00		NIST
Inp	1333.00		NIST
Inp	1363.00		NIST
Inp	1369.00		NIST
Inp	1369.00		NIST
Inp	1368.00		NIST
Inp	1352.00		NIST
Inp	1369.00		NIST
Inp	1366.00		NIST
Ip	[1940.00; 1984.00]
Ip	1945.00		NIST
Ip	1940.00		NIST
Ip	1984.00		NIST
Ip	1983.00		NIST
Ip	1983.00		NIST
Ip	1984.00		NIST
Ip	1940.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.11; 488.22]	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			-9.66400e+01
Coefficient B			1.28906e+00
Coefficient C			-1.15970e-03
Coefficient D			4.55500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	178.11	J/mol×K	273.00	Calculated Property
Cp,gas	234.42	J/mol×K	353.78	Calculated Property
Cp,gas	281.91	J/mol×K	434.56	Calculated Property
Cp,gas	322.01	J/mol×K	515.33	Calculated Property
Cp,gas	356.17	J/mol×K	596.11	Calculated Property
Cp,gas	385.83	J/mol×K	676.89	Calculated Property
Cp,gas	412.42	J/mol×K	757.67	Calculated Property
Cp,gas	437.39	J/mol×K	838.44	Calculated Property
Cp,gas	462.18	J/mol×K	919.22	Calculated Property
Cp,gas	488.22	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Piperitenone oxide.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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