Chemical Properties of Phenanthrene, 9-dodecyl- (CAS 3788-61-2)

InChI

InChI=1S/C26H34/c1-2-3-4-5-6-7-8-9-10-11-16-22-21-23-17-12-13-18-24(23)26-20-15-14-19-25(22)26/h12-15,17-21H,2-11,16H2,1H3

InChI Key

QBNLPAPGLLSKBN-UHFFFAOYSA-N

Formula

C26H34

SMILES

CCCCCCCCCCCCc1cc2ccccc2c2ccccc12

Molecular Weight¹

346.55

CAS

3788-61-2

Other Names

• 9-n-Dodecylphenanthrene
• 9-Dodecylphenathrene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[422.89; 1054.52]	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			-8.89390e+01
Coefficient B			2.26852e+00
Coefficient C			-1.56116e-03
Coefficient D			4.36100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	422.89	J/mol×K	273.00	Calculated Property
Cp,gas	537.53	J/mol×K	353.78	Calculated Property
Cp,gas	637.84	J/mol×K	434.56	Calculated Property
Cp,gas	725.19	J/mol×K	515.33	Calculated Property
Cp,gas	800.97	J/mol×K	596.11	Calculated Property
Cp,gas	866.56	J/mol×K	676.89	Calculated Property
Cp,gas	923.32	J/mol×K	757.67	Calculated Property
Cp,gas	972.66	J/mol×K	838.44	Calculated Property
Cp,gas	1015.93	J/mol×K	919.22	Calculated Property
Cp,gas	1054.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0066177; 0.0002603]	Pa×s	[348.95; 757.10]	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			-1.10199e+01
Coefficient B			2.09438e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			348.95
Temperature range, max.			757.10
η	0.0066177	Pa×s	348.95	Calculated Property
η	0.0033183	Pa×s	394.30	Calculated Property
η	0.0019185	Pa×s	439.65	Calculated Property
η	0.0012289	Pa×s	485.00	Calculated Property
η	0.0008495	Pa×s	530.35	Calculated Property
η	0.0006224	Pa×s	575.70	Calculated Property
η	0.0004772	Pa×s	621.05	Calculated Property
η	0.0003793	Pa×s	666.40	Calculated Property
η	0.0003105	Pa×s	711.75	Calculated Property
η	0.0002603	Pa×s	757.10	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 9-dodecyl-.

Sources

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

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