Chemical Properties of exo-Tricyclo[6,2,1,0(2,6)]decan-8-«alpha»-ol, acetate

InChI

InChI=1S/C12H18O2/c1-7(13)14-12-6-8-5-11(12)10-4-2-3-9(8)10/h8-12H,2-6H2,1H3/t8?,9-,10-,11?,12-/m0/s1

InChI Key

YKFHIJHJBUDXFP-MNALBRSASA-N

Formula

C12H18O2

SMILES

CC(=O)OC1CC2CC1C1CCCC21

Molecular Weight¹

194.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.07	kJ/mol	Joback Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-3.89		Relay (1.0) Calculated Property
logPoct/wat	2.374		Crippen Calculated Property
McVol	154.800	ml/mol	McGowan Calculated Property
Inp	[1414.00; 1414.00]
Inp	1414.00		NIST
Inp	1414.00		NIST
I	1851.00		NIST
Tboil	514.58	K	Relay (1.0) Calculated Property
Tfus	321.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[426.54; 528.57]	J/mol×K	[565.40; 779.60]
Cp,gas	426.54	J/mol×K	565.40	Joback Calculated Property
Cp,gas	446.47	J/mol×K	601.10	Joback Calculated Property
Cp,gas	465.13	J/mol×K	636.80	Joback Calculated Property
Cp,gas	482.59	J/mol×K	672.50	Joback Calculated Property
Cp,gas	498.93	J/mol×K	708.20	Joback Calculated Property
Cp,gas	514.23	J/mol×K	743.90	Joback Calculated Property
Cp,gas	528.57	J/mol×K	779.60	Joback Calculated Property
η	[0.0020614; 0.0021129]	Pa×s	[338.98; 565.40]
η	0.0020614	Pa×s	338.98	Joback Calculated Property
η	0.0020742	Pa×s	376.72	Joback Calculated Property
η	0.0020847	Pa×s	414.45	Joback Calculated Property
η	0.0020935	Pa×s	452.19	Joback Calculated Property
η	0.0021009	Pa×s	489.93	Joback Calculated Property
η	0.0021074	Pa×s	527.66	Joback Calculated Property
η	0.0021129	Pa×s	565.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to exo-Tricyclo[6,2,1,0(2,6)]decan-8-«alpha»-ol, acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.