Chemical Properties of Pyrene, 1-decyl-

InChI

InChI=1S/C26H30/c1-2-3-4-5-6-7-8-9-11-20-14-15-23-17-16-21-12-10-13-22-18-19-24(20)26(23)25(21)22/h10,12-19H,2-9,11H2,1H3

InChI Key

KIDRHZDFZVQIJA-UHFFFAOYSA-N

Formula

C26H30

SMILES

CCCCCCCCCCc1ccc2ccc3cccc4ccc1c2c34

Molecular Weight¹

342.53

Other Names

• 3-n-Decylpyrene
• 1-decylpyrene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation 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	[400.70; 988.44]	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			-1.03621e+02
Coefficient B			2.28052e+00
Coefficient C			-1.73636e-03
Coefficient D			5.47900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	400.70	J/mol×K	273.00	Calculated Property
Cp,gas	510.12	J/mol×K	353.78	Calculated Property
Cp,gas	604.46	J/mol×K	434.56	Calculated Property
Cp,gas	685.47	J/mol×K	515.33	Calculated Property
Cp,gas	754.87	J/mol×K	596.11	Calculated Property
Cp,gas	814.40	J/mol×K	676.89	Calculated Property
Cp,gas	865.79	J/mol×K	757.67	Calculated Property
Cp,gas	910.77	J/mol×K	838.44	Calculated Property
Cp,gas	951.07	J/mol×K	919.22	Calculated Property
Cp,gas	988.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019440; 0.0009298]	Pa×s	[551.14; 773.39]	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			-8.80965e+00
Coefficient B			1.41458e+03
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.			551.14
Temperature range, max.			773.39
η	0.0019440	Pa×s	551.14	Calculated Property
η	0.0017414	Pa×s	575.83	Calculated Property
η	0.0015741	Pa×s	600.53	Calculated Property
η	0.0014342	Pa×s	625.22	Calculated Property
η	0.0013161	Pa×s	649.92	Calculated Property
η	0.0012153	Pa×s	674.61	Calculated Property
η	0.0011286	Pa×s	699.30	Calculated Property
η	0.0010533	Pa×s	724.00	Calculated Property
η	0.0009876	Pa×s	748.69	Calculated Property
η	0.0009298	Pa×s	773.39	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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