Chemical Properties of Bicyclo[2.2.1]heptan-2-ol, 1,5,5-trimethyl- (CAS 6168-62-3)

InChI

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

InChI Key

QNNGNRWQCQDOMF-UHFFFAOYSA-N

Formula

C10H18O

SMILES

CC1(C)CC2(C)CC1CC2O

Molecular Weight¹

154.25

CAS

6168-62-3

Other Names

• Isofenchol

• 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).
• 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
ΔfG°	-20.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-272.72	kJ/mol	Joback Calculated Property
ΔfusH°	9.46	kJ/mol	Joback Calculated Property
ΔvapH°	51.61	kJ/mol	Joback Calculated Property
log10WS	-2.45		Crippen 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	[1114.00; 1119.00]
Inp	1114.00		NIST
Inp	1119.00		NIST
Tboil	529.27	K	Joback Calculated Property
Tc	730.21	K	Joback Calculated Property
Tfus	334.96	K	Joback Calculated Property
Vc	0.514	m3/kmol	Joback 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, 1,5,5-trimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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