Chemical Properties of Anhalinine (CAS 642-30-8)

InChI

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

InChI Key

GOBKARNYNSWQFZ-UHFFFAOYSA-N

Formula

C12H17NO3

SMILES

COc1cc2c(c(OC)c1OC)CNCC2

Molecular Weight¹

223.27

CAS

642-30-8

Other Names

• 1,2,3,4-Tetrahydroquinoline, 6,7,8-trimethoxy-

• 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).
• 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	[455.17; 537.53]	J/mol×K	[652.05; 874.69]
Cp,gas	455.17	J/mol×K	652.05	Joback Calculated Property
Cp,gas	471.11	J/mol×K	689.16	Joback Calculated Property
Cp,gas	486.18	J/mol×K	726.26	Joback Calculated Property
Cp,gas	500.37	J/mol×K	763.37	Joback Calculated Property
Cp,gas	513.67	J/mol×K	800.48	Joback Calculated Property
Cp,gas	526.06	J/mol×K	837.58	Joback Calculated Property
Cp,gas	537.53	J/mol×K	874.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Anhalinine.

Sources

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

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