Chemical Properties of Pyracene (CAS 567-79-3)

InChI

InChI=1S/C14H12/c1-2-10-7-8-12-4-3-11-6-5-9(1)13(10)14(11)12/h5-8H,1-4H2

InChI Key

UUBIWGRMBVAUIK-UHFFFAOYSA-N

Formula

C14H12

SMILES

c1cc2c3c(ccc4c3c1CC4)CC2

Molecular Weight¹

180.25

CAS

567-79-3

• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[172.79; 462.73]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.20110e+02
Coefficient B			1.38720e+00
Coefficient C			-1.28156e-03
Coefficient D			4.77200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.79	J/mol×K	273.00	Calculated Property
Cp,gas	231.38	J/mol×K	353.78	Calculated Property
Cp,gas	279.86	J/mol×K	434.56	Calculated Property
Cp,gas	319.73	J/mol×K	515.33	Calculated Property
Cp,gas	352.50	J/mol×K	596.11	Calculated Property
Cp,gas	379.68	J/mol×K	676.89	Calculated Property
Cp,gas	402.79	J/mol×K	757.67	Calculated Property
Cp,gas	423.33	J/mol×K	838.44	Calculated Property
Cp,gas	442.80	J/mol×K	919.22	Calculated Property
Cp,gas	462.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0023477; 0.0020243]	Pa×s	[408.14; 589.76]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-6.53566e+00
Coefficient B			1.96460e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			408.14
Temperature range, max.			589.76
η	0.0023477	Pa×s	408.14	Calculated Property
η	0.0022951	Pa×s	428.32	Calculated Property
η	0.0022482	Pa×s	448.50	Calculated Property
η	0.0022062	Pa×s	468.68	Calculated Property
η	0.0021684	Pa×s	488.86	Calculated Property
η	0.0021341	Pa×s	509.04	Calculated Property
η	0.0021029	Pa×s	529.22	Calculated Property
η	0.0020744	Pa×s	549.40	Calculated Property
η	0.0020483	Pa×s	569.58	Calculated Property
η	0.0020243	Pa×s	589.76	Calculated Property

Similar Compounds

Find more compounds similar to Pyracene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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