Chemical Properties of 1H-Phenalene (CAS 203-80-5)

InChI

InChI=1S/C13H10/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h1-8H,9H2

InChI Key

XDJOIMJURHQYDW-UHFFFAOYSA-N

Formula

C13H10

SMILES

C1=Cc2cccc3cccc(c23)C1

Molecular Weight¹

166.22

CAS

203-80-5

Other Names

• Phenalene
• Peri-Naphthindene
• Perinaphthene
• 1H-Benzonaphthene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.3837		Relay (1.0) Calculated Property
ΔfH°gas	266.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.99	kJ/mol	Joback Calculated Property
ΔvapH°	71.77	kJ/mol	Relay (1.0) Calculated Property
IE	7.72	eV	Relay (1.0) Calculated Property
log10WS	-4.39		Relay (1.0) Calculated Property
logPoct/wat	3.409		Crippen Calculated Property
McVol	135.650	ml/mol	McGowan Calculated Property
Pc	3376.28	kPa	Joback Calculated Property
Inp	[258.62; 268.00]
Inp	268.00		NIST
Inp	268.00		NIST
Inp	266.90		NIST
Inp	267.80		NIST
Inp	267.20		NIST
Inp	266.80		NIST
Inp	Outlier 258.62		NIST
Tboil	566.92	K	Relay (1.0) Calculated Property
Tc	839.20	K	Relay (1.0) Calculated Property
Tfus	303.65	K	Relay (1.0) Calculated Property
Vc	0.514	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	[306.88; 377.98]	J/mol×K	[563.23; 810.97]
Cp,gas	306.88	J/mol×K	563.23	Joback Calculated Property
Cp,gas	321.48	J/mol×K	604.52	Joback Calculated Property
Cp,gas	334.80	J/mol×K	645.81	Joback Calculated Property
Cp,gas	346.97	J/mol×K	687.10	Joback Calculated Property
Cp,gas	358.13	J/mol×K	728.39	Joback Calculated Property
Cp,gas	368.42	J/mol×K	769.68	Joback Calculated Property
Cp,gas	377.98	J/mol×K	810.97	Joback Calculated Property
η	[0.0005948; 0.0014835]	Pa×s	[343.37; 563.23]
η	0.0014835	Pa×s	343.37	Joback Calculated Property
η	0.0011837	Pa×s	380.01	Joback Calculated Property
η	0.0009828	Pa×s	416.66	Joback Calculated Property
η	0.0008408	Pa×s	453.30	Joback Calculated Property
η	0.0007364	Pa×s	489.94	Joback Calculated Property
η	0.0006569	Pa×s	526.59	Joback Calculated Property
η	0.0005948	Pa×s	563.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Phenalene.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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