Chemical Properties of C21H16 (CAS 4467-88-3)

InChI

InChI=1S/C21H16/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)21(19)18-14-8-3-9-15-18/h1-15,19H

InChI Key

UFTDGVXRVMJEDI-UHFFFAOYSA-N

Formula

C21H16

SMILES

c1ccc(C2=C(c3ccccc3)C2c2ccccc2)cc1

Molecular Weight¹

268.35

CAS

4467-88-3

• 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	[254.39; 689.52]	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			-1.31780e+02
Coefficient B			1.73800e+00
Coefficient C			-1.28560e-03
Coefficient D			3.68900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	254.39	J/mol×K	273.00	Calculated Property
Cp,gas	338.52	J/mol×K	353.78	Calculated Property
Cp,gas	410.98	J/mol×K	434.56	Calculated Property
Cp,gas	472.94	J/mol×K	515.33	Calculated Property
Cp,gas	525.57	J/mol×K	596.11	Calculated Property
Cp,gas	570.03	J/mol×K	676.89	Calculated Property
Cp,gas	607.49	J/mol×K	757.67	Calculated Property
Cp,gas	639.11	J/mol×K	838.44	Calculated Property
Cp,gas	666.07	J/mol×K	919.22	Calculated Property
Cp,gas	689.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013548; 0.0003204]	Pa×s	[449.43; 733.30]	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			-1.03287e+01
Coefficient B			1.67394e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			449.43
Temperature range, max.			733.30
η	0.0013548	Pa×s	449.43	Calculated Property
η	0.0010612	Pa×s	480.97	Calculated Property
η	0.0008566	Pa×s	512.51	Calculated Property
η	0.0007088	Pa×s	544.05	Calculated Property
η	0.0005989	Pa×s	575.59	Calculated Property
η	0.0005149	Pa×s	607.14	Calculated Property
η	0.0004493	Pa×s	638.68	Calculated Property
η	0.0003972	Pa×s	670.22	Calculated Property
η	0.0003550	Pa×s	701.76	Calculated Property
η	0.0003204	Pa×s	733.30	Calculated Property

Similar Compounds

Find more compounds similar to C21H16.

Sources

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

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