Chemical Properties of Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S-endo)- (CAS 464-45-9)

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+/m0/s1

InChI Key

DTGKSKDOIYIVQL-QXFUBDJGSA-N

Formula

C10H18O

SMILES

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

Molecular Weight¹

154.25

CAS

464-45-9

Other Names

• ((1S)-endo)-(-)-Borneol
• (-)-(1S,4S)-borneol
• (-)-borneol
• (-)-endo-borneol
• (1S)-(-)-borneol
• (1S)-endo-Borneol
• (1S,2R,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol
• (1S,2R,4S)-borneol
• (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
• (1S-endo)1,7,7-Trimethyl-bicyclo[2.2.1]heptan-2-ol
• (2R)-(-)-borneol
• 1-Bornyl alcohol
• Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S,2R,4S)-
• Borneol
• L-borneol
• Ngai camphor
• [(1S)-endo-]-borneol
• borneol, (1S,2R,4S)-(-)-
• bornyl alcohol
• endo-(-)-borneol
• endo-(1S)-(-)-Borneol
• endo-2-borneol
• l-2-Bornanol
• l-2-Camphanol
• linderol

• 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).
• P_sub : Sublimation pressure (kPa).
• 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	-2.54		Relay (1.0) Calculated Property
logPoct/wat	2.194		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Inp	[1124.00; 1173.00]
Inp	1160.00		NIST
Inp	1152.00		NIST
Inp	1173.00		NIST
Inp	1124.00		NIST
Inp	1166.00		NIST
Inp	1160.00		NIST
Inp	1124.00		NIST
Ip	[1675.00; 1675.00]
Ip	1675.00		NIST
Ip	1675.00		NIST
Tboil	[483.20; 486.55]	K
Tboil	483.20	K	NIST
Tboil	486.55 ± 0.50	K	NIST
Tfus	480.30	K	Thermodynamic study of selected monoterpenes II
Ttriple	479.70	K	Dielectric and thermodynamic study of camphor and borneol enantiomers and their binary systems

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Psub	[1.84e-03; 0.22]	kPa	[293.12; 347.10]
Psub	1.84e-03	kPa	293.12	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	1.85e-03	kPa	293.13	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	1.85e-03	kPa	293.13	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	3.11e-03	kPa	298.14	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	3.12e-03	kPa	298.14	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	3.12e-03	kPa	298.15	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	5.16e-03	kPa	303.16	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	5.16e-03	kPa	303.16	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	5.17e-03	kPa	303.17	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	8.38e-03	kPa	308.16	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	8.39e-03	kPa	308.18	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	8.39e-03	kPa	308.18	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.01	kPa	313.13	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.01	kPa	313.14	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.01	kPa	313.14	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.02	kPa	318.14	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.02	kPa	318.14	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.02	kPa	318.15	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.03	kPa	323.17	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.03	kPa	323.18	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.03	kPa	323.19	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.05	kPa	328.14	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.05	kPa	328.14	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.05	kPa	328.15	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.07	kPa	333.18	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.07	kPa	333.18	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.07	kPa	333.18	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.11	kPa	338.20	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.11	kPa	338.21	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.11	kPa	338.21	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.16	kPa	343.15	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.16	kPa	343.15	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.16	kPa	343.15	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.21	kPa	346.99	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.22	kPa	347.09	Vapor pressures and thermophysical properties of selected monoterpenoids
Psub	0.22	kPa	347.10	Vapor pressures and thermophysical properties of selected monoterpenoids

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 Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S-endo)-.

Mixtures

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

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
• Vapor pressures and thermophysical properties of selected monoterpenoids
• Thermodynamic study of selected monoterpenes II
• Dielectric and thermodynamic study of camphor and borneol enantiomers and their binary systems
• Joback Method
• McGowan Method
• NIST Webbook

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