Chemical Properties of (+)-Borneol

InChI

InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1

InChI Key

DTGKSKDOIYIVQL-WEDXCCLWSA-N

Formula

C10H18O

SMILES

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

Molecular Weight¹

154.25

Other Names

• (1R,2S,4R)-(+)-borneol
• (1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
• (1R,2S,4R)-borneol
• 1-borneol
• d-borneol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• 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
ΔfusH°	9.46	kJ/mol	Joback Calculated Property
log10WS	-2.66		Relay (1.0) Calculated Property
logPoct/wat	2.194		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Inp	[1162.00; 1173.00]
Inp	1173.00		NIST
Inp	1162.00		NIST
Inp	1162.00		NIST
Inp	1173.00		NIST
Ip	[1604.00; 1698.00]
Ip	1604.00		NIST
Ip	1698.00		NIST
Tboil	489.13	K	Relay (1.0) Calculated Property
Tfus	447.31	K	Relay (1.0) Calculated Property
Ttriple	481.60	K	Dielectric and thermodynamic study of camphor and borneol enantiomers and their binary systems

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[175.02; 543.14]	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			-1.94620e+02
Coefficient B			1.81086e+00
Coefficient C			-1.89900e-03
Coefficient D			8.25900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.02	J/mol×K	273.00	Calculated Property
Cp,gas	244.92	J/mol×K	353.78	Calculated Property
Cp,gas	301.47	J/mol×K	434.56	Calculated Property
Cp,gas	347.29	J/mol×K	515.33	Calculated Property
Cp,gas	385.00	J/mol×K	596.11	Calculated Property
Cp,gas	417.19	J/mol×K	676.89	Calculated Property
Cp,gas	446.49	J/mol×K	757.67	Calculated Property
Cp,gas	475.51	J/mol×K	838.44	Calculated Property
Cp,gas	506.85	J/mol×K	919.22	Calculated Property
Cp,gas	543.14	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (+)-Borneol.

Mixtures

• (+)-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
• Dielectric and thermodynamic study of camphor and borneol enantiomers and their binary systems
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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