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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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
ΔfG°	356.80	kJ/mol	Joback Calculated Property
ΔfH°gas	243.93	kJ/mol	Joback Calculated Property
ΔfusH°	17.99	kJ/mol	Joback Calculated Property
ΔvapH°	50.29	kJ/mol	Joback Calculated Property
log10WS	-4.38		Crippen 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	563.03	K	Joback Calculated Property
Tc	810.68	K	Joback Calculated Property
Tfus	343.37	K	Joback Calculated Property
Vc	0.521	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[306.80; 377.92]	J/mol×K	[563.03; 810.68]
Cp,gas	306.80	J/mol×K	563.03	Joback Calculated Property
Cp,gas	321.41	J/mol×K	604.30	Joback Calculated Property
Cp,gas	334.73	J/mol×K	645.58	Joback Calculated Property
Cp,gas	346.90	J/mol×K	686.85	Joback Calculated Property
Cp,gas	358.06	J/mol×K	728.13	Joback Calculated Property
Cp,gas	368.35	J/mol×K	769.40	Joback Calculated Property
Cp,gas	377.92	J/mol×K	810.68	Joback Calculated Property
η	[0.0005951; 0.0014835]	Pa×s	[343.37; 563.03]
η	0.0014835	Pa×s	343.37	Joback Calculated Property
η	0.0011839	Pa×s	379.98	Joback Calculated Property
η	0.0009831	Pa×s	416.59	Joback Calculated Property
η	0.0008412	Pa×s	453.20	Joback Calculated Property
η	0.0007367	Pa×s	489.81	Joback Calculated Property
η	0.0006572	Pa×s	526.42	Joback Calculated Property
η	0.0005951	Pa×s	563.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Phenalene.

Sources

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

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