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

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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_boilr : Boiling point at reduced pressure (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

Property	Value	Unit	Source
ω	0.5023		Relay (1.0) Calculated Property
ΔfG°	210.65	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	25.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	71.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-3.16		Relay (1.0) Calculated Property
logPoct/wat	2.839		Crippen Calculated Property
McVol	158.530	ml/mol	McGowan Calculated Property
Pc	2850.42	kPa	Relay (1.0-beta) 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
Tc	838.79	K	Relay (1.0) Calculated Property
Tfus	379.65	K	Relay (1.0) Calculated Property
Vc	0.608	m3/kmol	Relay (1.0) Calculated Property

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

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