Chemical Properties of Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, (1S)-

InChI

InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9-/m0/s1

InChI Key

RXBQNMWIQKOSCS-RKDXNWHRSA-N

Formula

C10H16O

SMILES

CC1(C)[C@H]2CC=C(CO)[C@@H]1C2

Molecular Weight¹

152.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.76; 494.81]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.28489e+02
Coefficient B			1.42994e+00
Coefficient C			-1.34204e-03
Coefficient D			5.35400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.76	J/mol×K	273.00	Calculated Property
Cp,gas	233.13	J/mol×K	353.78	Calculated Property
Cp,gas	283.41	J/mol×K	434.56	Calculated Property
Cp,gas	325.28	J/mol×K	515.33	Calculated Property
Cp,gas	360.43	J/mol×K	596.11	Calculated Property
Cp,gas	390.57	J/mol×K	676.89	Calculated Property
Cp,gas	417.39	J/mol×K	757.67	Calculated Property
Cp,gas	442.57	J/mol×K	838.44	Calculated Property
Cp,gas	467.81	J/mol×K	919.22	Calculated Property
Cp,gas	494.81	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, (1S)-.

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.
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