Chemical Properties of Azuleno[2,1,8-ija]azulene,10b,10c-dihydro- (CAS 38765-94-5)

InChI

InChI=1S/C16H12/c1-2-6-12-10-14-8-4-3-7-13-9-11(5-1)15(12)16(13)14/h1-10,15-16H

InChI Key

BOEDVIFOOMGTJW-UHFFFAOYSA-N

Formula

C16H12

SMILES

C1=CC=C2C=C3C=CC=CC4=CC(=C1)C2C43

Molecular Weight¹

204.27

CAS

38765-94-5

• 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).
• IE : Ionization energy (eV).
• 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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[191.91; 526.27]	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			-1.33330e+02
Coefficient B			1.51200e+00
Coefficient C			-1.29540e-03
Coefficient D			4.43000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.91	J/mol×K	273.00	Calculated Property
Cp,gas	259.07	J/mol×K	353.78	Calculated Property
Cp,gas	315.45	J/mol×K	434.56	Calculated Property
Cp,gas	362.46	J/mol×K	515.33	Calculated Property
Cp,gas	401.51	J/mol×K	596.11	Calculated Property
Cp,gas	433.99	J/mol×K	676.89	Calculated Property
Cp,gas	461.31	J/mol×K	757.67	Calculated Property
Cp,gas	484.86	J/mol×K	838.44	Calculated Property
Cp,gas	506.05	J/mol×K	919.22	Calculated Property
Cp,gas	526.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020859; 0.0016849]	Pa×s	[391.64; 619.72]	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			-6.75255e+00
Coefficient B			2.27140e+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.			391.64
Temperature range, max.			619.72
η	0.0020859	Pa×s	391.64	Calculated Property
η	0.0020136	Pa×s	416.98	Calculated Property
η	0.0019517	Pa×s	442.33	Calculated Property
η	0.0018982	Pa×s	467.67	Calculated Property
η	0.0018514	Pa×s	493.01	Calculated Property
η	0.0018101	Pa×s	518.35	Calculated Property
η	0.0017735	Pa×s	543.70	Calculated Property
η	0.0017408	Pa×s	569.04	Calculated Property
η	0.0017115	Pa×s	594.38	Calculated Property
η	0.0016849	Pa×s	619.72	Calculated Property

Similar Compounds

Find more compounds similar to Azuleno[2,1,8-ija]azulene,10b,10c-dihydro-.

Sources

• 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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