Chemical Properties of l-fenchone

InChI

InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3/t7-,10+/m0/s1

InChI Key

LHXDLQBQYFFVNW-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC12CCC(C1)C(C)(C)C2=O

Molecular Weight¹

152.24

Other Names

• (-)-Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1R)-
• (-)-fenchone
• (1R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
• (R)-Fenchone
• 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one-, (1R,4S)-
• 1,3,3-trimethylnorbornan-2-one
• 2-norbornanone, 1,3,3-trimethyl-, (1R,4S)-(-)-
• L-(-)-Fenchone
• bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1R)

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ρ_l : Liquid Density (kg/m³).
• 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	-213.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	3.81	kJ/mol	Joback Calculated Property
ΔvapH°	48.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.60	eV	Relay (1.0) Calculated Property
log10WS	-2.44		Relay (1.0) Calculated Property
logPoct/wat	2.402		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Tboil	459.80	K	Relay (1.0) Calculated Property
Tfus	358.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.29; 417.76]	J/mol×K	[509.58; 742.46]
Cp,gas	324.29	J/mol×K	509.58	Joback Calculated Property
Cp,gas	342.61	J/mol×K	548.39	Joback Calculated Property
Cp,gas	359.48	J/mol×K	587.21	Joback Calculated Property
Cp,gas	375.18	J/mol×K	626.02	Joback Calculated Property
Cp,gas	389.96	J/mol×K	664.83	Joback Calculated Property
Cp,gas	404.06	J/mol×K	703.65	Joback Calculated Property
Cp,gas	417.76	J/mol×K	742.46	Joback Calculated Property
ρl	940.67	kg/m3	298.15	Excess molar enthalpies of R-fenchone + propan-1-ol or +propan-2-ol. Modeling with COSMO-RS and UNIFAC

Datasets

Mass density, kg/m3

Fixed		Measured
Temperature, K - Liquid	Pressure, kPa - Liquid	Mass density, kg/m3 - Liquid
283.15	101.00	953.27
298.15	101.00	940.67
313.15	101.00	928.04
328.15	101.00	915.39
283.15	20000.00	965.6
283.15	25000.00	968.5
283.15	30000.00	971.3
283.15	35000.00	974.0
283.15	40000.00	976.6
298.15	20000.00	954.0
298.15	25000.00	957.1
298.15	30000.00	960.0
298.15	35000.00	962.9
298.15	40000.00	965.7
313.15	20000.00	942.3
313.15	25000.00	945.6
313.15	30000.00	948.7
313.15	35000.00	951.8
313.15	40000.00	954.7
328.15	20000.00	930.8
328.15	25000.00	934.2
328.15	30000.00	937.6
328.15	35000.00	940.9
328.15	40000.00	944.0
Reference

Similar Compounds

Find more compounds similar to l-fenchone.

Mixtures

• 1-Butanol + l-fenchone
• 1-Pentanol + l-fenchone
• Ethanol + l-fenchone
• 1-Propanol + l-fenchone
• 2-Propanol + l-fenchone

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
• Thermophysical properties of {R-fenchone + ethanol} at several temperatures and pressures
• Excess molar enthalpies of R-fenchone + propan-1-ol or +propan-2-ol. Modeling with COSMO-RS and UNIFAC
• Excess molar enthalpies of R-fenchone + butan-1-ol or + pentan-1-ol. Modeling with COSMO-RS and UNIFAC
• 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.