Chemical Properties of 6-Camphenone

InChI

InChI=1S/C10H14O/c1-6-7-4-8(9(11)5-7)10(6,2)3/h7-8H,1,4-5H2,2-3H3

InChI Key

ANYFZDNBRIMCPS-UHFFFAOYSA-N

Formula

C10H14O

SMILES

C=C1C2CC(=O)C(C2)C1(C)C

Molecular Weight¹

150.22

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfH°gas	-152.42	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.95	kJ/mol	Joback Calculated Property
ΔvapH°	56.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
logPoct/wat	2.178		Crippen Calculated Property
McVol	127.310	ml/mol	McGowan Calculated Property
Inp	[1066.00; 1098.00]
Inp	1095.00		NIST
Inp	Outlier 1066.00		NIST
Inp	1093.00		NIST
Inp	1082.00		NIST
Inp	1093.00		NIST
Inp	1098.00		NIST
Inp	1095.00		NIST
Tboil	477.57	K	Relay (1.0) Calculated Property
Tfus	392.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[167.06; 477.70]	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			-9.71400e+01
Coefficient B			1.22564e+00
Coefficient C			-1.05500e-03
Coefficient D			4.04200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	167.06	J/mol×K	273.00	Calculated Property
Cp,gas	222.32	J/mol×K	353.78	Calculated Property
Cp,gas	269.41	J/mol×K	434.56	Calculated Property
Cp,gas	309.62	J/mol×K	515.33	Calculated Property
Cp,gas	344.21	J/mol×K	596.11	Calculated Property
Cp,gas	374.46	J/mol×K	676.89	Calculated Property
Cp,gas	401.66	J/mol×K	757.67	Calculated Property
Cp,gas	427.08	J/mol×K	838.44	Calculated Property
Cp,gas	452.00	J/mol×K	919.22	Calculated Property
Cp,gas	477.70	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6-Camphenone.

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.
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