Chemical Properties of Chrysene, 1,2,3,4,4a,7,8,9,10,11,12,12a-dodecahydro-6-octyl-

InChI

InChI=1S/C26H40/c1-2-3-4-5-6-7-13-21-19-26-22-14-9-8-12-20(22)17-18-25(26)24-16-11-10-15-23(21)24/h19-20,22H,2-18H2,1H3

InChI Key

QMLSEQMTIVHKQP-UHFFFAOYSA-N

Formula

C26H40

SMILES

CCCCCCCCc1cc2c(c3c1CCCC3)CCC1CCCCC21

Molecular Weight¹

352.61

Other Names

• 12-n-Octyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrochrysene

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[422.72; 1167.90]	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			-1.69483e+02
Coefficient B			2.60732e+00
Coefficient C			-1.73044e-03
Coefficient D			4.60500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	422.72	J/mol×K	273.00	Calculated Property
Cp,gas	556.74	J/mol×K	353.78	Calculated Property
Cp,gas	674.56	J/mol×K	434.56	Calculated Property
Cp,gas	777.63	J/mol×K	515.33	Calculated Property
Cp,gas	867.41	J/mol×K	596.11	Calculated Property
Cp,gas	945.35	J/mol×K	676.89	Calculated Property
Cp,gas	1012.91	J/mol×K	757.67	Calculated Property
Cp,gas	1071.56	J/mol×K	838.44	Calculated Property
Cp,gas	1122.73	J/mol×K	919.22	Calculated Property
Cp,gas	1167.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019004; 0.0005187]	Pa×s	[506.78; 769.53]	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			-1.00686e+01
Coefficient B			1.92726e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			506.78
Temperature range, max.			769.53
η	0.0019004	Pa×s	506.78	Calculated Property
η	0.0015448	Pa×s	535.97	Calculated Property
η	0.0012830	Pa×s	565.17	Calculated Property
η	0.0010851	Pa×s	594.36	Calculated Property
η	0.0009323	Pa×s	623.56	Calculated Property
η	0.0008119	Pa×s	652.75	Calculated Property
η	0.0007155	Pa×s	681.94	Calculated Property
η	0.0006371	Pa×s	711.14	Calculated Property
η	0.0005725	Pa×s	740.33	Calculated Property
η	0.0005187	Pa×s	769.53	Calculated Property

Similar Compounds

Find more compounds similar to Chrysene, 1,2,3,4,4a,7,8,9,10,11,12,12a-dodecahydro-6-octyl-.

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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