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?/m1/s1

InChI Key

DTGKSKDOIYIVQL-CCNFQMFXSA-N

Formula

C10H18O

SMILES

CC1(C)C2CCC1(C)C(O)C2

Molecular Weight¹

154.25

CAS

464-45-9

Other Names

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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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
ω	0.4351		Relay (... Calculated Property
ΔfG°	-20.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-255.91	kJ/mol	Relay (... Calculated Property
ΔfusH°	9.46	kJ/mol	Joback Calculated Property
ΔvapH°	72.93	kJ/mol	Relay (... Calculated Property
IE	8.77	eV	Relay (... Calculated Property
log10WS	-2.37		Relay (... Calculated Property
logPoct/wat	2.194		Crippen Calculated Property
McVol	135.910	ml/mol	McGowan Calculated Property
Pc	3166.83	kPa	Joback 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
I	[1675.00; 1675.00]
I	1675.00		NIST
I	1675.00		NIST
Tboil	[483.20; 486.55]	K
Tboil	483.20	K	NIST
Tboil	486.55 ± 0.50	K	NIST
Tc	731.96	K	Relay (... Calculated Property
Tfus	483.05	K	Relay (... Calculated Property
Vc	0.474	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.30; 436.70]	J/mol×K	[529.27; 730.21]
Cp,gas	354.30	J/mol×K	529.27	Joback Calculated Property
Cp,gas	370.25	J/mol×K	562.76	Joback Calculated Property
Cp,gas	385.05	J/mol×K	596.25	Joback Calculated Property
Cp,gas	398.92	J/mol×K	629.74	Joback Calculated Property
Cp,gas	412.02	J/mol×K	663.23	Joback Calculated Property
Cp,gas	424.55	J/mol×K	696.72	Joback Calculated Property
Cp,gas	436.70	J/mol×K	730.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, (1S-endo)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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