Chemical Properties of D-Fenchone (CAS 4695-62-9)

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

4695-62-9

Other Names

• (+)-Fenchone
• (1S)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-one
• (S)-Fenchone
• 1,3,3-Trimethylbicyclo(2.2.1)heptan-2-one, (1S)-
• 2-Norbornanone, 1,3,3-trimethyl-, (+)-
• 2-Norbornanone, 1,3,3-trimethyl-, (1S,4R)-(+)-
• 2-heptanone, 1,3,3-trimethylbicyclo[2.2.1]-
• 2-norbornanone, 1,3,3-trimethyl0, (1S,4R)-(+)-
• Bicyclo(2.2.1)heptan-2-one, 1,3,3-trimethyl-, (1S)-
• Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-
• Bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1S,4R)-
• D(+)-fenchone
• D-(+)-Fenchone
• bicyclo[2.2.1]heptan-2-one, 1,3,3-trimethyl-, (1S)
• d-1,3,3-Trimethyl-2-norbornanone
• d-1,3,3-Trimethyl-2-norcamphanone

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• 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°	[51.10; 51.70]	kJ/mol
ΔvapH°	51.70 ± 0.10	kJ/mol	NIST
ΔvapH°	51.40 ± 0.10	kJ/mol	NIST
ΔvapH°	51.10 ± 0.10	kJ/mol	NIST
log10WS	[-1.85; -1.85]
log10WS	-1.85		Aq. Sol...
log10WS	-1.85		Estimat...
logPoct/wat	2.402		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Pc	3082.99	kPa	Joback Calculated Property
Tboil	[466.35; 466.70]	K
Tboil	466.70	K	NIST
Tboil	466.35 ± 0.30	K	NIST
Tc	742.46	K	Joback Calculated Property
Tfus	278.52	K	Aq. Sol...
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
ΔvapH	[47.00; 48.90]	kJ/mol	[374.50; 382.50]
ΔvapH	47.00	kJ/mol	374.50	NIST
ΔvapH	48.90	kJ/mol	382.50	NIST

Similar Compounds

Find more compounds similar to D-Fenchone.

Mixtures

• Ethanol + D-Fenchone
• D-Fenchone + Cyclohexane
• Benzene + D-Fenchone
• D-Fenchone + Carbon Tetrachloride

Sources

• Crippen Method
• Thermodynamic properties of chiral fenchones in some solutions at T = 298.15 K
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility 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.