Chemical Properties of Phenanthrene-9-carboxaldehyde (CAS 4707-71-5)

InChI

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

InChI Key

QECIGCMPORCORE-UHFFFAOYSA-N

Formula

C15H10O

SMILES

O=Cc1cc2ccccc2c2ccccc12

Molecular Weight¹

206.24

CAS

4707-71-5

Other Names

• Phenanthrene-9-aldehyde
• 9-Phenanthrenecarboxaldehyde
• phenanthrene-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_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	0.5365		Relay (1.0) Calculated Property
EA	[0.66; 0.72]	eV
EA	0.72 ± 0.01	eV	NIST
EA	0.66 ± 0.14	eV	NIST
ΔfH°gas	89.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.20	kJ/mol	Joback Calculated Property
ΔvapH°	91.51	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-4.79		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	[354.40; 2070.00]
Inp	2070.00		NIST
Inp	2070.00		NIST
Inp	354.70		NIST
Inp	354.40		NIST
Inp	354.70		NIST
Inp	354.40		NIST
Tboil	664.09	K	Relay (1.0) Calculated Property
Tc	974.53	K	Relay (1.0) Calculated Property
Tfus	380.16	K	Relay (1.0) Calculated Property
Vc	0.593	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

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

Similar Compounds

Find more compounds similar to Phenanthrene-9-carboxaldehyde.

Sources

• Cheméo Relay (1.0)
• 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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