Chemical Properties of L-Fenchone (CAS 7787-20-4)

InChI

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

InChI Key

LHXDLQBQYFFVNW-UHFFFAOYSA-N

Formula

C10H16O

SMILES

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

Molecular Weight¹

152.23

CAS

7787-20-4

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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• ρ_l : Liquid Density (kg/m³).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	1.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-237.85	kJ/mol	Joback Calculated Property
ΔfusH°	3.81	kJ/mol	Joback Calculated Property
ΔvapH°	39.49	kJ/mol	Joback Calculated Property
log10WS	-2.35		Crippen Calculated Property
logPoct/wat	2.402		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3082.99	kPa	Joback Calculated Property
Tboil	509.58	K	Joback Calculated Property
Tc	742.46	K	Joback Calculated Property
Tfus	346.60	K	Joback Calculated Property
Vc	0.503	m3/kmol	Joback Calculated Property

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 ...

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

• Ethanol + L-Fenchone
• 1-Propanol + L-Fenchone
• Isopropyl Alcohol + L-Fenchone
• 1-Butanol + L-Fenchone
• 1-Pentanol + L-Fenchone

Sources

• 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

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