Chemical Properties of Anhalonidine (CAS 17627-77-9)

InChI

InChI=1S/C12H17NO3/c1-7-10-8(4-5-13-7)6-9(15-2)12(16-3)11(10)14/h6-7,13-14H,4-5H2,1-3H3

InChI Key

PRNZAMQMBOFSJY-UHFFFAOYSA-N

Formula

C12H17NO3

SMILES

COc1cc2c(c(O)c1OC)C(C)NCC2

Molecular Weight¹

223.27

CAS

17627-77-9

• 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	[486.23; 565.08]	J/mol×K	[700.60; 933.64]
Cp,gas	486.23	J/mol×K	700.60	Joback Calculated Property
Cp,gas	501.40	J/mol×K	739.44	Joback Calculated Property
Cp,gas	515.69	J/mol×K	778.28	Joback Calculated Property
Cp,gas	529.15	J/mol×K	817.12	Joback Calculated Property
Cp,gas	541.84	J/mol×K	855.96	Joback Calculated Property
Cp,gas	553.80	J/mol×K	894.80	Joback Calculated Property
Cp,gas	565.08	J/mol×K	933.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Anhalonidine.

Sources

• 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.