Chemical Properties of 2-Cyclohexen-1-ol, 3,5,5-trimethyl- (CAS 470-99-5)

InChI

InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h4,8,10H,5-6H2,1-3H3

InChI Key

LDRWAWZXDDBHTG-UHFFFAOYSA-N

Formula

C9H16O

SMILES

CC1=CC(O)CC(C)(C)C1

Molecular Weight¹

140.22

CAS

470-99-5

Other Names

• 3,5,5-Trimethyl-2-cyclohexen-1-ol
• Isophorol
• 3,5,5-trimethylcyclohex-2-en-1-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_boilr : Boiling point at reduced pressure (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	[304.39; 380.33]	J/mol×K	[516.76; 715.30]
Cp,gas	304.39	J/mol×K	516.76	Joback Calculated Property
Cp,gas	318.83	J/mol×K	549.85	Joback Calculated Property
Cp,gas	332.45	J/mol×K	582.94	Joback Calculated Property
Cp,gas	345.33	J/mol×K	616.03	Joback Calculated Property
Cp,gas	357.55	J/mol×K	649.12	Joback Calculated Property
Cp,gas	369.19	J/mol×K	682.21	Joback Calculated Property
Cp,gas	380.33	J/mol×K	715.30	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-Cyclohexen-1-ol, 3,5,5-trimethyl-.

Sources

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

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