Chemical Properties of ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-(PHENYLMETHYL)-

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

223.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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, 1,2,3,4-TETRAHYDRO-1-(PHENYLMETHYL)-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.