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

• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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	[0.66; 0.72]	eV
EA	0.72 ± 0.01	eV	NIST
EA	0.66 ± 0.14	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
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	[354.40; 2070.00]
Inp	2070.00		NIST
Inp	354.70		NIST
Inp	354.40		NIST
Inp	354.70		NIST
Inp	2070.00		NIST
Inp	354.40		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

Similar Compounds

Find more compounds similar to Phenanthrene-9-carboxaldehyde.

Sources

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

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