Chemical Properties of Pyrene, 4-decyl-1,2,3,6,7,8-hexahydro- (CAS 56247-94-0)

InChI

InChI=1S/C26H36/c1-2-3-4-5-6-7-8-9-12-22-19-23-15-10-13-20-17-18-21-14-11-16-24(22)26(21)25(20)23/h17-19H,2-16H2,1H3

InChI Key

RJQGNYIKTOWQRO-UHFFFAOYSA-N

Formula

C26H36

SMILES

CCCCCCCCCCc1cc2c3c(ccc4c3c1CCC4)CCC2

Molecular Weight¹

348.56

CAS

56247-94-0

Other Names

• 4-n-Decyl-(1,2,3,6,7,8-hexahydropyrene)

• 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).
• T_boil : Normal Boiling Point 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 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	[420.12; 1082.34]	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			-1.26961e+02
Coefficient B			2.44852e+00
Coefficient C			-1.77452e-03
Coefficient D			5.35300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	420.12	J/mol×K	273.00	Calculated Property
Cp,gas	540.88	J/mol×K	353.78	Calculated Property
Cp,gas	645.89	J/mol×K	434.56	Calculated Property
Cp,gas	736.85	J/mol×K	515.33	Calculated Property
Cp,gas	815.45	J/mol×K	596.11	Calculated Property
Cp,gas	883.38	J/mol×K	676.89	Calculated Property
Cp,gas	942.35	J/mol×K	757.67	Calculated Property
Cp,gas	994.03	J/mol×K	838.44	Calculated Property
Cp,gas	1040.13	J/mol×K	919.22	Calculated Property
Cp,gas	1082.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0117430; 0.0007718]	Pa×s	[345.65; 773.11]	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			-9.36815e+00
Coefficient B			1.70186e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			345.65
Temperature range, max.			773.11
η	0.0117430	Pa×s	345.65	Calculated Property
η	0.0064782	Pa×s	393.15	Calculated Property
η	0.0040627	Pa×s	440.64	Calculated Property
η	0.0027900	Pa×s	488.14	Calculated Property
η	0.0020481	Pa×s	535.63	Calculated Property
η	0.0015811	Pa×s	583.13	Calculated Property
η	0.0012691	Pa×s	630.62	Calculated Property
η	0.0010505	Pa×s	678.12	Calculated Property
η	0.0008914	Pa×s	725.61	Calculated Property
η	0.0007718	Pa×s	773.11	Calculated Property

Similar Compounds

Find more compounds similar to Pyrene, 4-decyl-1,2,3,6,7,8-hexahydro-.

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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