Chemical Properties of Pyrene, 1-ethyl- (CAS 17088-22-1)

InChI

InChI=1S/C18H14/c1-2-12-6-7-15-9-8-13-4-3-5-14-10-11-16(12)18(15)17(13)14/h3-11H,2H2,1H3

InChI Key

ZWAMZDRREBOHIO-UHFFFAOYSA-N

Formula

C18H14

SMILES

CCc1ccc2ccc3cccc4ccc1c2c34

Molecular Weight¹

230.30

CAS

17088-22-1

Other Names

• 1-ethylpyrene

• 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°	498.39	kJ/mol	Joback Calculated Property
ΔfH°gas	315.02	kJ/mol	Joback Calculated Property
ΔfusH°	29.29	kJ/mol	Joback Calculated Property
ΔvapH°	64.21	kJ/mol	Joback Calculated Property
log10WS	-7.10		Crippen Calculated Property
logPoct/wat	5.146		Crippen Calculated Property
McVol	186.640	ml/mol	McGowan Calculated Property
Pc	2472.73	kPa	Joback Calculated Property
Inp	[385.02; 386.60]
Inp	385.35		NIST
Inp	385.02		NIST
Inp	385.35		NIST
Inp	Outlier 386.60		NIST
Inp	385.35		NIST
Inp	385.35		NIST
Inp	385.02		NIST
Tboil	702.10	K	Joback Calculated Property
Tc	947.69	K	Joback Calculated Property
Tfus	365.65 ± 2.00	K	NIST
Vc	0.732	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[486.49; 561.35]	J/mol×K	[702.10; 947.69]
Cp,gas	486.49	J/mol×K	702.10	Joback Calculated Property
Cp,gas	500.79	J/mol×K	743.03	Joback Calculated Property
Cp,gas	514.11	J/mol×K	783.96	Joback Calculated Property
Cp,gas	526.65	J/mol×K	824.90	Joback Calculated Property
Cp,gas	538.57	J/mol×K	865.83	Joback Calculated Property
Cp,gas	550.08	J/mol×K	906.76	Joback Calculated Property
Cp,gas	561.35	J/mol×K	947.69	Joback Calculated Property
η	[0.0012650; 0.0020704]	Pa×s	[460.98; 702.10]
η	0.0020704	Pa×s	460.98	Joback Calculated Property
η	0.0018454	Pa×s	501.17	Joback Calculated Property
η	0.0016732	Pa×s	541.35	Joback Calculated Property
η	0.0015378	Pa×s	581.54	Joback Calculated Property
η	0.0014288	Pa×s	621.73	Joback Calculated Property
η	0.0013394	Pa×s	661.91	Joback Calculated Property
η	0.0012650	Pa×s	702.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pyrene, 1-ethyl-.

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.