Chemical Properties of Isoquinoline, 1-benzyl-1,2,3,4-tetrahydro- (CAS 19716-56-4)

InChI

InChI=1S/C16H17N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16/h1-9,16-17H,10-12H2

InChI Key

YRYCIFUZSUMAAY-UHFFFAOYSA-N

Formula

C16H17N

SMILES

c1ccc(CC2NCCc3ccccc32)cc1

Molecular Weight¹

223.31

CAS

19716-56-4

• 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	[507.73; 602.02]	J/mol×K	[683.38; 941.58]
Cp,gas	507.73	J/mol×K	683.38	Joback Calculated Property
Cp,gas	527.03	J/mol×K	726.41	Joback Calculated Property
Cp,gas	544.74	J/mol×K	769.45	Joback Calculated Property
Cp,gas	560.97	J/mol×K	812.48	Joback Calculated Property
Cp,gas	575.86	J/mol×K	855.51	Joback Calculated Property
Cp,gas	589.50	J/mol×K	898.54	Joback Calculated Property
Cp,gas	602.02	J/mol×K	941.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isoquinoline, 1-benzyl-1,2,3,4-tetrahydro-.

Sources

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

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