Chemical Properties of Acridine, 1,2,3,4,5,6,7,8-octahydro- (CAS 1658-08-8)

InChI

InChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9H,1-8H2

InChI Key

LLCXJIQXTXEQID-UHFFFAOYSA-N

Formula

C13H17N

SMILES

c1c2c(nc3c1CCCC3)CCCC2

Molecular Weight¹

187.28

CAS

1658-08-8

Other Names

• Octahydroacridine
• 1,2,3,4,5,6,7,8-Octahydroacridine

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	25.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	71.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
logPoct/wat	2.839		Crippen Calculated Property
McVol	158.530	ml/mol	McGowan Calculated Property
Inp	[1712.20; 1736.60]
Inp	1726.50		NIST
Inp	1726.20		NIST
Inp	1712.20		NIST
Inp	1726.50		NIST
Inp	1736.60		NIST
Inp	1712.20		NIST
Inp	1726.50		NIST
Inp	1736.60		NIST
Inp	1726.50		NIST
Inp	1726.20		NIST
Inp	1726.50		NIST
Inp	1712.20		NIST
Tboil	587.26	K	Relay (1.0) Calculated Property
Tfus	367.00	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Acridine, 1,2,3,4,5,6,7,8-octahydro-.

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
• 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.
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