Chemical Properties of Acridine, 9,10-dihydro- (CAS 92-81-9)

InChI

InChI=1S/C13H11N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8,14H,9H2

InChI Key

HJCUTNIGJHJGCF-UHFFFAOYSA-N

Formula

C13H11N

SMILES

c1ccc2c(c1)Cc1ccccc1N2

Molecular Weight¹

181.23

CAS

92-81-9

Other Names

• Acridan
• Acridane
• Carbazine
• 9,10-Dihydroacridine

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (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	243.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.48	kJ/mol	Joback Calculated Property
ΔvapH°	81.80	kJ/mol	Relay (1.0) Calculated Property
IE	[7.24; 7.33]	eV
IE	7.24 ± 0.03	eV	NIST
IE	7.33	eV	NIST
log10WS	-4.17		Relay (1.0) Calculated Property
logPoct/wat	3.334		Crippen Calculated Property
McVol	145.630	ml/mol	McGowan Calculated Property
Inp	[279.00; 304.33]
Inp	279.00		NIST
Inp	304.11		NIST
Inp	304.33		NIST
Tboil	609.02	K	Relay (1.0) Calculated Property
Tc	909.95	K	Relay (1.0) Calculated Property
Tfus	429.96	K	Relay (1.0) Calculated Property

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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.14; 449.40]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-8.22800e+01
Coefficient B			1.13560e+00
Coefficient C			-8.73120e-04
Coefficient D			2.69200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.14	J/mol×K	273.00	Calculated Property
Cp,gas	222.11	J/mol×K	353.78	Calculated Property
Cp,gas	268.41	J/mol×K	434.56	Calculated Property
Cp,gas	307.90	J/mol×K	515.33	Calculated Property
Cp,gas	341.43	J/mol×K	596.11	Calculated Property
Cp,gas	369.84	J/mol×K	676.89	Calculated Property
Cp,gas	393.99	J/mol×K	757.67	Calculated Property
Cp,gas	414.73	J/mol×K	838.44	Calculated Property
Cp,gas	432.92	J/mol×K	919.22	Calculated Property
Cp,gas	449.40	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acridine, 9,10-dihydro-.

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.
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