Chemical Properties of Octalene (CAS 257-55-6)

InChI

InChI=1S/C14H12/c1-2-6-10-14-12-8-4-3-7-11-13(14)9-5-1/h1-12H/b2-1-,4-3-,5-1-,6-2-,7-3-,8-4-,9-5-,10-6-,11-7-,12-8-,13-9-,13-11-,14-10-,14-12-,14-13-

InChI Key

OVPVGJFDFSJUIG-VFLSUHNHSA-N

Formula

C14H12

SMILES

c1cccc2ccccccc-2cc1

Molecular Weight¹

180.25

CAS

257-55-6

• 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	[171.70; 476.81]	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			-8.01100e+01
Coefficient B			1.10080e+00
Coefficient C			-6.94680e-04
Coefficient D			1.50800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	171.70	J/mol×K	273.00	Calculated Property
Cp,gas	229.06	J/mol×K	353.78	Calculated Property
Cp,gas	279.44	J/mol×K	434.56	Calculated Property
Cp,gas	323.32	J/mol×K	515.33	Calculated Property
Cp,gas	361.18	J/mol×K	596.11	Calculated Property
Cp,gas	393.49	J/mol×K	676.89	Calculated Property
Cp,gas	420.73	J/mol×K	757.67	Calculated Property
Cp,gas	443.38	J/mol×K	838.44	Calculated Property
Cp,gas	461.91	J/mol×K	919.22	Calculated Property
Cp,gas	476.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032891; 0.0001044]	Pa×s	[294.10; 589.04]	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			-1.26077e+01
Coefficient B			2.02650e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			294.10
Temperature range, max.			589.04
η	0.0032891	Pa×s	294.10	Calculated Property
η	0.0016484	Pa×s	326.87	Calculated Property
η	0.0009370	Pa×s	359.64	Calculated Property
η	0.0005853	Pa×s	392.41	Calculated Property
η	0.0003931	Pa×s	425.18	Calculated Property
η	0.0002795	Pa×s	457.95	Calculated Property
η	0.0002080	Pa×s	490.72	Calculated Property
η	0.0001606	Pa×s	523.49	Calculated Property
η	0.0001279	Pa×s	556.27	Calculated Property
η	0.0001044	Pa×s	589.04	Calculated Property

Similar Compounds

Find more compounds similar to Octalene.

Sources

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

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