Chemical Properties of Bicyclo[2.2.1]heptan-2-ol, 4,7,7-trimethyl- (CAS 22336-76-1)

InChI

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

InChI Key

PTRMHRHSDMENOG-UHFFFAOYSA-N

Formula

C10H18O

SMILES

CC12CCC(C(O)C1)C2(C)C

Molecular Weight¹

154.25

CAS

22336-76-1

Other Names

• 3-Bornanol

• 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.
• 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	0.4433		Relay (... Calculated Property
ΔfG°	-20.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-265.19	kJ/mol	Relay (... Calculated Property
ΔfusH°	9.46	kJ/mol	Joback Calculated Property
ΔvapH°	72.64	kJ/mol	Relay (... Calculated Property
IE	9.00	eV	Relay (... Calculated Property
log10WS	-1.96		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	[1164.00; 1164.00]
Inp	1164.00		NIST
Inp	1164.00		NIST
Tboil	487.74	K	Relay (... Calculated Property
Tc	725.68	K	Relay (... Calculated Property
Tfus	451.39	K	Relay (... Calculated Property
Vc	0.472	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, 4,7,7-trimethyl-.

Sources

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

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