Chemical Properties of Pentaphene (CAS 222-93-5)

InChI

InChI=1S/C22H14/c1-3-7-17-13-21-19(11-15(17)5-1)9-10-20-12-16-6-2-4-8-18(16)14-22(20)21/h1-14H

InChI Key

JQQSUOJIMKJQHS-UHFFFAOYSA-N

Formula

C22H14

SMILES

c1ccc2cc3c(ccc4cc5ccccc5cc43)cc2c1

Molecular Weight¹

278.35

CAS

222-93-5

Other Names

• pentapheno

• ω : Acentric Factor.
• 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).
• 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	0.6067		Relay (... Calculated Property
ΔfG°	644.48	kJ/mol	Joback Calculated Property
ΔfH°gas	361.10	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.69	kJ/mol	Joback Calculated Property
ΔvapH°	131.18	kJ/mol	Relay (... Calculated Property
IE	[7.27; 7.53]	eV
IE	7.27	eV	NIST
IE	7.34 ± 0.04	eV	NIST
IE	Outlier 7.53	eV	NIST
IE	7.35	eV	NIST
IE	7.27 ± 0.02	eV	NIST
IE	7.27	eV	NIST
log10WS	-9.02		Relay (... Calculated Property
logPoct/wat	6.299		Crippen Calculated Property
McVol	219.240	ml/mol	McGowan Calculated Property
Pc	2347.36	kPa	Joback Calculated Property
Inp	[495.80; 496.83]
Inp	496.83		NIST
Inp	496.83		NIST
Inp	496.67		NIST
Inp	496.67		NIST
Inp	496.83		NIST
Inp	Outlier 495.80		NIST
Inp	496.67		NIST
Tboil	796.59	K	Relay (... Calculated Property
Tc	1100.27	K	Relay (... Calculated Property
Tfus	563.58	K	Relay (... Calculated Property
Vc	0.836	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[607.64; 691.04]	J/mol×K	[820.30; 1089.89]
Cp,gas	607.64	J/mol×K	820.30	Joback Calculated Property
Cp,gas	622.45	J/mol×K	865.23	Joback Calculated Property
Cp,gas	636.52	J/mol×K	910.16	Joback Calculated Property
Cp,gas	650.13	J/mol×K	955.09	Joback Calculated Property
Cp,gas	663.56	J/mol×K	1000.03	Joback Calculated Property
Cp,gas	677.10	J/mol×K	1044.96	Joback Calculated Property
Cp,gas	691.04	J/mol×K	1089.89	Joback Calculated Property
η	[0.0011148; 0.0022584]	Pa×s	[532.48; 820.30]
η	0.0022584	Pa×s	532.48	Joback Calculated Property
η	0.0019125	Pa×s	580.45	Joback Calculated Property
η	0.0016611	Pa×s	628.42	Joback Calculated Property
η	0.0014719	Pa×s	676.39	Joback Calculated Property
η	0.0013254	Pa×s	724.36	Joback Calculated Property
η	0.0012090	Pa×s	772.33	Joback Calculated Property
η	0.0011148	Pa×s	820.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentaphene.

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.