Chemical Properties of (+)-2-Bornanone (CAS 464-49-3)

InChI

InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1

InChI Key

DSSYKIVIOFKYAU-XCBNKYQSSA-N

Formula

C10H16O

SMILES

CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2

Molecular Weight¹

152.24

CAS

464-49-3

Other Names

• (+)-bornan-2-one
• (+)-camphor
• (1R)-(+)-camphor
• (1R)-1,7,7-trimethylbicyclo[2,2,1]heptan-2-one
• (1R)-Camphor
• (1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one
• (R)-(+)-Camphor
• (R)-Camphor
• 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one, (1R)-
• 1,7,7-trimethyl-bicyclo-[2,2,1]heptane-2-one
• 1,7,7-trimethylbicyclo[2.2.1]-2-heptanone (camphor)
• 1,7,7-trimethylbicyclo[2.2.1]-2-heptanone, (1R)-
• Alcanfor
• Camphor (D)
• Camphor USP
• D-(+)-camphor
• D-2-bornanone
• D-camphor
• Japanese camphor
• bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-, (1R)-
• camphor, (+)-
• camphor, (1R,4R)-(+)-
• d-2-Camphanone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (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_fusH : Enthalpy of fusion at a given temperature (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.
• I_p : Polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-170.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.20	kJ/mol	Temperature and composition-dependent properties of the two-component system D- + L-camphor at 'ordinary' pressure
ΔvapH°	55.30	kJ/mol	NIST
IE	9.18	eV	Relay (1.0) Calculated Property
logPoct/wat	2.402		Crippen Calculated Property
McVol	131.610	ml/mol	McGowan Calculated Property
Inp	[1121.00; 1158.00]
Inp	1144.00		NIST
Inp	1141.00		NIST
Inp	1121.00		NIST
Inp	1158.00		NIST
Inp	1141.00		NIST
Ip	[1509.00; 1532.00]
Ip	1528.00		NIST
Ip	1529.00		NIST
Ip	1509.00		NIST
Ip	1527.00		NIST
Ip	1532.00		NIST
Ip	1527.00		NIST
Ip	1528.00		NIST
Ip	1509.00		NIST
S°solid,1 bar	289.76	J/mol×K	NIST
Tboil	472.43	K	Relay (1.0) Calculated Property
Tfus	[451.80; 463.38]	K
Tfus	451.80 ± 0.50	K	NIST
Tfus	463.38 ± 0.20	K	NIST
Tfus	452.00 ± 1.00	K	NIST
Ttriple	452.70	K	Dielectric and thermodynamic study of camphor and borneol enantiomers and their binary systems

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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	[243.00; 247.30]	J/mol×K	[259.00; 300.13]
Cp,solid	243.00	J/mol×K	259.00	NIST
Cp,solid	247.30	J/mol×K	300.13	NIST
Csat	[232.00; 256.30]	J/mol×K	[271.15; 313.15]
Csat	232.00	J/mol×K	271.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	235.70	J/mol×K	276.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	238.60	J/mol×K	281.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	241.50	J/mol×K	286.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	244.20	J/mol×K	291.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	247.10	J/mol×K	296.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	249.60	J/mol×K	301.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	252.30	J/mol×K	306.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	255.10	J/mol×K	311.15	Interpretation of the global heat of melting in eutectic binary systems
Csat	256.30	J/mol×K	313.15	Interpretation of the global heat of melting in eutectic binary systems
ΔfusH	5.30	kJ/mol	452.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.62; 516.94]	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			-1.69420e+02
Coefficient B			1.63506e+00
Coefficient C			-1.68000e-03
Coefficient D			7.31300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.62	J/mol×K	273.00	Calculated Property
Cp,gas	231.14	J/mol×K	353.78	Calculated Property
Cp,gas	283.87	J/mol×K	434.56	Calculated Property
Cp,gas	327.11	J/mol×K	515.33	Calculated Property
Cp,gas	363.18	J/mol×K	596.11	Calculated Property
Cp,gas	394.40	J/mol×K	676.89	Calculated Property
Cp,gas	423.07	J/mol×K	757.67	Calculated Property
Cp,gas	451.51	J/mol×K	838.44	Calculated Property
Cp,gas	482.03	J/mol×K	919.22	Calculated Property
Cp,gas	516.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (+)-2-Bornanone.

Mixtures

• Neopentyl glycol + (+)-2-Bornanone
• Ethanol + (+)-2-Bornanone
• Ethanol + (+)-2-Bornanone + ( S)-camphor
• Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S-endo)- + (+)-2-Bornanone
• (+)-2-Bornanone + (+)-Borneol

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
• Thermodynamic properties of ethanol solution of chiral camphors and its derivatives
• Temperature and composition-dependent properties of the two-component system D- + L-camphor at 'ordinary' pressure
• Dependency of thermal conductivity on the temperature and composition of d-camphor in the neopentylglycol d-camphor alloys
• Interpretation of the global heat of melting in eutectic binary systems
• Dielectric and thermodynamic study of camphor and borneol enantiomers and their binary systems
• Joback Method
• McGowan Method
• NIST Webbook

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