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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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
EA	[1.02; 1.31]	eV
EA	1.31 ± 0.10	eV	NIST
EA	1.02 ± 0.13	eV	NIST
ΔfG°	282.35	kJ/mol	Joback Calculated Property
ΔfH°gas	157.22	kJ/mol	Joback Calculated Property
ΔfusH°	24.20	kJ/mol	Joback Calculated Property
ΔvapH°	62.58	kJ/mol	Joback 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	-5.32		Crippen Calculated Property
logPoct/wat	3.805		Crippen Calculated Property
McVol	161.100	ml/mol	McGowan Calculated Property
Pc	3110.57	kPa	Joback Calculated Property
Inp	[356.60; 2094.00]
Inp	2094.00		NIST
Inp	357.30		NIST
Inp	356.60		NIST
Inp	368.30		NIST
Tboil	665.86	K	Joback Calculated Property
Tc	915.62	K	Joback Calculated Property
Tfus	417.67	K	Joback Calculated Property
Vc	0.628	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[395.89; 460.77]	J/mol×K	[665.86; 915.62]
Cp,gas	395.89	J/mol×K	665.86	Joback Calculated Property
Cp,gas	408.97	J/mol×K	707.49	Joback Calculated Property
Cp,gas	420.97	J/mol×K	749.11	Joback Calculated Property
Cp,gas	432.02	J/mol×K	790.74	Joback Calculated Property
Cp,gas	442.25	J/mol×K	832.36	Joback Calculated Property
Cp,gas	451.79	J/mol×K	873.99	Joback Calculated Property
Cp,gas	460.77	J/mol×K	915.62	Joback Calculated Property
η	[0.0005729; 0.0017500]	Pa×s	[417.67; 665.86]
η	0.0017500	Pa×s	417.67	Joback Calculated Property
η	0.0013359	Pa×s	459.04	Joback Calculated Property
η	0.0010664	Pa×s	500.40	Joback Calculated Property
η	0.0008811	Pa×s	541.76	Joback Calculated Property
η	0.0007479	Pa×s	583.13	Joback Calculated Property
η	0.0006488	Pa×s	624.50	Joback Calculated Property
η	0.0005729	Pa×s	665.86	Joback Calculated Property
ΔfusH	17.61	kJ/mol	377.20	NIST
ΔsubH	100.60 ± 3.90	kJ/mol	346.00	NIST

Similar Compounds

Find more compounds similar to 9-Anthracenecarboxaldehyde.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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