Chemical Properties of cis-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-ol (CAS 98920-24-2)

InChI

InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7-8,11H,4-6H2,1-3H3

InChI Key

WHIKIYRWRMRQNK-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

CC12CCC(C(O)C1)C(C)(C)O2

Molecular Weight¹

170.25

CAS

98920-24-2

• 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.
• 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°	-118.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-410.88	kJ/mol	Joback Calculated Property
ΔfusH°	15.34	kJ/mol	Joback Calculated Property
ΔvapH°	56.29	kJ/mol	Joback Calculated Property
log10WS	-2.24		Crippen Calculated Property
logPoct/wat	1.715		Crippen Calculated Property
McVol	141.780	ml/mol	McGowan Calculated Property
Pc	3224.64	kPa	Joback Calculated Property
Inp	[1234.00; 1234.00]
Inp	1234.00		NIST
Inp	1234.00		NIST
I	1864.00		NIST
Tboil	560.49	K	Joback Calculated Property
Tc	767.10	K	Joback Calculated Property
Tfus	358.01	K	Joback Calculated Property
Vc	0.527	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[386.49; 470.44]	J/mol×K	[560.49; 767.10]
Cp,gas	386.49	J/mol×K	560.49	Joback Calculated Property
Cp,gas	402.41	J/mol×K	594.92	Joback Calculated Property
Cp,gas	417.30	J/mol×K	629.36	Joback Calculated Property
Cp,gas	431.35	J/mol×K	663.79	Joback Calculated Property
Cp,gas	444.77	J/mol×K	698.23	Joback Calculated Property
Cp,gas	457.73	J/mol×K	732.66	Joback Calculated Property
Cp,gas	470.44	J/mol×K	767.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-5-ol.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.