Chemical Properties of Bicyclo[4.1.0]heptan-3-ol, 3,7,7-trimethyl-, [1S-(1«alpha»,3«beta»,6«alpha»)]- (CAS 4017-92-9)

InChI

InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3

InChI Key

ZOKKRMIFZVQTTP-UHFFFAOYSA-N

Formula

C10H18O

SMILES

CC1(O)CCC2C(C1)C2(C)C

Molecular Weight¹

154.25

CAS

4017-92-9

Other Names

• 3-Caranol, (1S,3S,6R)-(+)-
• (+)-Caran-3«beta»-ol
• Bicyclo[4.1.0]heptan-3-ol, 3,7,7-trimethyl-, (1S,3S,6R)-
• 3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol-, [1S-(1«alpha»,3«beta»,6«alpha»)]-
• Caran-3-«beta»-ol

• 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.
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.30; 436.70]	J/mol×K	[529.27; 730.21]
Cp,gas	354.30	J/mol×K	529.27	Joback Calculated Property
Cp,gas	370.25	J/mol×K	562.76	Joback Calculated Property
Cp,gas	385.05	J/mol×K	596.25	Joback Calculated Property
Cp,gas	398.92	J/mol×K	629.74	Joback Calculated Property
Cp,gas	412.02	J/mol×K	663.23	Joback Calculated Property
Cp,gas	424.55	J/mol×K	696.72	Joback Calculated Property
Cp,gas	436.70	J/mol×K	730.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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