Chemical Properties of 2,5,5,8a-Tetramethyl-3,4,4a,5,6,8a-hexahydro-2H-chromene (CAS 72746-44-2)

InChI

InChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,9-11H,6-8H2,1-4H3

InChI Key

IVTQSEFLDHBCDZ-UHFFFAOYSA-N

Formula

C13H22O

SMILES

CC1CCC2C(C)(C)CC=CC2(C)O1

Molecular Weight¹

194.31

CAS

72746-44-2

• ω : Acentric Factor.
• 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).
• 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).
• 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	[451.15; 568.71]	J/mol×K	[544.65; 774.56]
Cp,gas	451.15	J/mol×K	544.65	Joback Calculated Property
Cp,gas	473.87	J/mol×K	582.97	Joback Calculated Property
Cp,gas	494.99	J/mol×K	621.29	Joback Calculated Property
Cp,gas	514.78	J/mol×K	659.61	Joback Calculated Property
Cp,gas	533.50	J/mol×K	697.93	Joback Calculated Property
Cp,gas	551.39	J/mol×K	736.24	Joback Calculated Property
Cp,gas	568.71	J/mol×K	774.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5,5,8a-Tetramethyl-3,4,4a,5,6,8a-hexahydro-2H-chromene.

Sources

• Cheméo Relay (1.0)
• 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.