Chemical Properties of Perylene, 3-hexyl- (CAS 7350-91-6)

InChI

InChI=1S/C26H24/c1-2-3-4-5-9-18-16-17-24-22-14-7-11-19-10-6-13-21(25(19)22)23-15-8-12-20(18)26(23)24/h6-8,10-17H,2-5,9H2,1H3

InChI Key

TZZMLMCAAVPEBH-UHFFFAOYSA-N

Formula

C26H24

SMILES

CCCCCCc1ccc2c3cccc4cccc(c5cccc1c52)c43

Molecular Weight¹

336.47

CAS

7350-91-6

Other Names

• 3-n-Hexylperylene
• 3-Hexylperylene

• ω : Acentric Factor.
• 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_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 Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[362.25; 894.62]	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			-1.20765e+02
Coefficient B			2.21732e+00
Coefficient C			-1.80604e-03
Coefficient D			6.04100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	362.25	J/mol×K	273.00	Calculated Property
Cp,gas	464.38	J/mol×K	353.78	Calculated Property
Cp,gas	551.31	J/mol×K	434.56	Calculated Property
Cp,gas	624.94	J/mol×K	515.33	Calculated Property
Cp,gas	687.20	J/mol×K	596.11	Calculated Property
Cp,gas	739.98	J/mol×K	676.89	Calculated Property
Cp,gas	785.20	J/mol×K	757.67	Calculated Property
Cp,gas	824.78	J/mol×K	838.44	Calculated Property
Cp,gas	860.61	J/mol×K	919.22	Calculated Property
Cp,gas	894.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0064660; 0.0018658]	Pa×s	[414.65; 802.88]	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			-7.61147e+00
Coefficient B			1.06576e+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.			414.65
Temperature range, max.			802.88
η	0.0064660	Pa×s	414.65	Calculated Property
η	0.0050752	Pa×s	457.79	Calculated Property
η	0.0041532	Pa×s	500.92	Calculated Property
η	0.0035085	Pa×s	544.06	Calculated Property
η	0.0030382	Pa×s	587.20	Calculated Property
η	0.0026834	Pa×s	630.33	Calculated Property
η	0.0024079	Pa×s	673.47	Calculated Property
η	0.0021892	Pa×s	716.61	Calculated Property
η	0.0020119	Pa×s	759.75	Calculated Property
η	0.0018658	Pa×s	802.88	Calculated Property

Similar Compounds

Find more compounds similar to Perylene, 3-hexyl-.

Sources

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

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