Chemical Properties of Bicyclo[4.1.0]heptan-3-ol, 4,7,7-trimethyl-, (1«alpha»,3«beta»,4«alpha»,6«alpha»)- (CAS 54750-09-3)

InChI

InChI=1S/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7-,8+,9-/m1/s1

InChI Key

WHXOMZVLSNHION-LURQLKTLSA-N

Formula

C10H18O

SMILES

CC1CC2C(CC1O)C2(C)C

Molecular Weight¹

154.25

CAS

54750-09-3

Other Names

• 4,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol, (1«alpha»,3«beta»,4«alpha»,6«alpha»)-
• (1«alpha»,3«beta»,4«alpha»,6«alpha»)-4,7,7-trimethylbicyclo[4.1.0]heptan-3-ol

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[355.58; 441.89]	J/mol×K	[524.56; 717.69]
Cp,gas	355.58	J/mol×K	524.56	Joback Calculated Property
Cp,gas	372.10	J/mol×K	556.75	Joback Calculated Property
Cp,gas	387.63	J/mol×K	588.94	Joback Calculated Property
Cp,gas	402.28	J/mol×K	621.13	Joback Calculated Property
Cp,gas	416.14	J/mol×K	653.31	Joback Calculated Property
Cp,gas	429.31	J/mol×K	685.50	Joback Calculated Property
Cp,gas	441.89	J/mol×K	717.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[4.1.0]heptan-3-ol, 4,7,7-trimethyl-, (1«alpha»,3«beta»,4«alpha»,6«alpha»)-.

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

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