Chemical Properties of Bicyclo[2.2.2]octan-1-ol, 4-methyl- (CAS 824-13-5)

InChI

InChI=1S/C9H16O/c1-8-2-5-9(10,6-3-8)7-4-8/h10H,2-7H2,1H3

InChI Key

JWGWSFMJBKXMGZ-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CC12CCC(O)(CC1)CC2

Molecular Weight¹

140.22

CAS

824-13-5

Other Names

• 1-Hydroxy-4-methylbicyclo[2.2.2]octane
• byciclo 2,2,2-octan-1-ol-4-methyl

• 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 : 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°	-25.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-217.56	kJ/mol	Joback Calculated Property
ΔfusH°	2.63	kJ/mol	Joback Calculated Property
ΔvapH°	50.17	kJ/mol	Joback Calculated Property
log10WS	-2.51		Crippen Calculated Property
logPoct/wat	2.092		Crippen Calculated Property
McVol	121.820	ml/mol	McGowan Calculated Property
Pc	3955.54	kPa	Joback Calculated Property
I	[1590.00; 1590.00]
I	1590.00		NIST
I	1590.00		NIST
Tboil	520.00	K	Joback Calculated Property
Tc	731.78	K	Joback Calculated Property
Tfus	328.65	K	Joback Calculated Property
Vc	0.453	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[306.07; 383.75]	J/mol×K	[520.00; 731.78]
Cp,gas	306.07	J/mol×K	520.00	Joback Calculated Property
Cp,gas	321.45	J/mol×K	555.30	Joback Calculated Property
Cp,gas	335.56	J/mol×K	590.59	Joback Calculated Property
Cp,gas	348.62	J/mol×K	625.89	Joback Calculated Property
Cp,gas	360.86	J/mol×K	661.19	Joback Calculated Property
Cp,gas	372.49	J/mol×K	696.48	Joback Calculated Property
Cp,gas	383.75	J/mol×K	731.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[2.2.2]octan-1-ol, 4-methyl-.

Sources

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

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