Chemical Properties of 9-Anthracenecarboxaldehyde (CAS 642-31-9)

InChI

InChI=1S/C15H10O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H

InChI Key

YMNKUHIVVMFOFO-UHFFFAOYSA-N

Formula

C15H10O

SMILES

O=Cc1c2ccccc2cc2ccccc12

Molecular Weight¹

206.24

CAS

642-31-9

Other Names

• 9-Anthraldehyde
• 9-Anthrylaldehyde
• 9-Anthrylcarboxaldehyde
• 9-Formylanthracene
• Anthracene-9-carboxaldehyde
• Anthracene-9-aldehyde
• anthracene-9-carbaldehyde

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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_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	0.5374		Relay (1.0) Calculated Property
EA	[1.02; 1.31]	eV
EA	1.31 ± 0.10	eV	NIST
EA	1.02 ± 0.13	eV	NIST
ΔfH°gas	102.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.20	kJ/mol	Joback Calculated Property
ΔvapH°	87.73	kJ/mol	Relay (1.0) Calculated Property
IE	[7.67; 7.69]	eV
IE	7.67	eV	NIST
IE	7.69 ± 0.03	eV	NIST
IE	7.67 ± 0.03	eV	NIST
log10WS	-4.85		Relay (1.0) Calculated Property
logPoct/wat	3.806		Crippen Calculated Property
McVol	161.100	ml/mol	McGowan Calculated Property
Pc	3110.57	kPa	Joback Calculated Property
Inp	[356.60; 2094.00]
Inp	356.60		NIST
Inp	2094.00		NIST
Inp	357.30		NIST
Inp	356.60		NIST
Inp	368.30		NIST
Tboil	666.75	K	Relay (1.0) Calculated Property
Tc	971.40	K	Relay (1.0) Calculated Property
Tfus	408.39	K	Relay (1.0) Calculated Property
Vc	0.587	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.45; 477.80]	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			-6.75400e+01
Coefficient B			1.19800e+00
Coefficient C			-9.55760e-04
Coefficient D			3.03100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.45	J/mol×K	273.00	Calculated Property
Cp,gas	250.08	J/mol×K	353.78	Calculated Property
Cp,gas	297.45	J/mol×K	434.56	Calculated Property
Cp,gas	337.49	J/mol×K	515.33	Calculated Property
Cp,gas	371.18	J/mol×K	596.11	Calculated Property
Cp,gas	399.47	J/mol×K	676.89	Calculated Property
Cp,gas	423.31	J/mol×K	757.67	Calculated Property
Cp,gas	443.68	J/mol×K	838.44	Calculated Property
Cp,gas	461.52	J/mol×K	919.22	Calculated Property
Cp,gas	477.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017500; 0.0006160]	Pa×s	[417.67; 641.12]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.34394e+00
Coefficient B			1.25125e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			417.67
Temperature range, max.			641.12
η	0.0017500	Pa×s	417.67	Calculated Property
η	0.0014792	Pa×s	442.50	Calculated Property
η	0.0012729	Pa×s	467.33	Calculated Property
η	0.0011121	Pa×s	492.15	Calculated Property
η	0.0009842	Pa×s	516.98	Calculated Property
η	0.0008809	Pa×s	541.81	Calculated Property
η	0.0007961	Pa×s	566.64	Calculated Property
η	0.0007257	Pa×s	591.47	Calculated Property
η	0.0006664	Pa×s	616.30	Calculated Property
η	0.0006160	Pa×s	641.12	Calculated Property

Similar Compounds

Find more compounds similar to 9-Anthracenecarboxaldehyde.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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