Chemical Properties of Perylene, 1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-tetradecahydro-

InChI

InChI=1S/C20H26/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h13-14H,1-12H2

InChI Key

JAEIWHRMTMZKDG-UHFFFAOYSA-N

Formula

C20H26

SMILES

C1Cc2c3c4c(c5c2C(C1)CCC5)CCCC4CCC3

Molecular Weight¹

266.43

Other Names

• 1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-Tetradecahydroperylene

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[277.17; 826.61]	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			-2.00790e+02
Coefficient B			2.16480e+00
Coefficient C			-1.65900e-03
Coefficient D			5.21600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	277.17	J/mol×K	273.00	Calculated Property
Cp,gas	380.53	J/mol×K	353.78	Calculated Property
Cp,gas	469.46	J/mol×K	434.56	Calculated Property
Cp,gas	545.61	J/mol×K	515.33	Calculated Property
Cp,gas	610.64	J/mol×K	596.11	Calculated Property
Cp,gas	666.19	J/mol×K	676.89	Calculated Property
Cp,gas	713.91	J/mol×K	757.67	Calculated Property
Cp,gas	755.46	J/mol×K	838.44	Calculated Property
Cp,gas	792.47	J/mol×K	919.22	Calculated Property
Cp,gas	826.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041641; 0.0023944]	Pa×s	[477.38; 700.44]	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			-7.21890e+00
Coefficient B			8.29520e+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.			477.38
Temperature range, max.			700.44
η	0.0041641	Pa×s	477.38	Calculated Property
η	0.0038219	Pa×s	502.16	Calculated Property
η	0.0035362	Pa×s	526.95	Calculated Property
η	0.0032948	Pa×s	551.73	Calculated Property
η	0.0030886	Pa×s	576.52	Calculated Property
η	0.0029107	Pa×s	601.30	Calculated Property
η	0.0027560	Pa×s	626.08	Calculated Property
η	0.0026204	Pa×s	650.87	Calculated Property
η	0.0025008	Pa×s	675.65	Calculated Property
η	0.0023944	Pa×s	700.44	Calculated Property

Similar Compounds

Find more compounds similar to Perylene, 1,2,3,3a,4,5,6,7,8,9,9a,10,11,12-tetradecahydro-.

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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