Chemical Properties of Azulene, 1,2,3-triphenyl-

InChI

InChI=1S/C28H20/c1-5-13-21(14-6-1)26-24-19-11-4-12-20-25(24)27(22-15-7-2-8-16-22)28(26)23-17-9-3-10-18-23/h1-20H

InChI Key

BBAHZGDEGNYDBK-UHFFFAOYSA-N

Formula

C28H20

SMILES

c1ccc(-c2c3cccccc-3c(-c3ccccc3)c2-c2ccccc2)cc1

Molecular Weight¹

356.47

Other Names

• 1,2,3-Triphenylazulene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[337.09; 889.87]	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			-1.46730e+02
Coefficient B			2.16600e+00
Coefficient C			-1.55980e-03
Coefficient D			4.30400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	337.09	J/mol×K	273.00	Calculated Property
Cp,gas	443.39	J/mol×K	353.78	Calculated Property
Cp,gas	535.29	J/mol×K	434.56	Calculated Property
Cp,gas	614.15	J/mol×K	515.33	Calculated Property
Cp,gas	681.34	J/mol×K	596.11	Calculated Property
Cp,gas	738.23	J/mol×K	676.89	Calculated Property
Cp,gas	786.16	J/mol×K	757.67	Calculated Property
Cp,gas	826.50	J/mol×K	838.44	Calculated Property
Cp,gas	860.62	J/mol×K	919.22	Calculated Property
Cp,gas	889.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005280; 0.0001115]	Pa×s	[581.26; 885.79]	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			-1.20698e+01
Coefficient B			2.62926e+03
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.			581.26
Temperature range, max.			885.79
η	0.0005280	Pa×s	581.26	Calculated Property
η	0.0004117	Pa×s	615.10	Calculated Property
η	0.0003295	Pa×s	648.93	Calculated Property
η	0.0002695	Pa×s	682.77	Calculated Property
η	0.0002247	Pa×s	716.60	Calculated Property
η	0.0001904	Pa×s	750.44	Calculated Property
η	0.0001637	Pa×s	784.28	Calculated Property
η	0.0001425	Pa×s	818.11	Calculated Property
η	0.0001255	Pa×s	851.95	Calculated Property
η	0.0001115	Pa×s	885.79	Calculated Property

Similar Compounds

Find more compounds similar to Azulene, 1,2,3-triphenyl-.

Sources

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

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