Chemical Properties of Anthracene, 9-ethenyl-

InChI

InChI=1S/C16H12/c1-2-14-15-9-5-3-7-12(15)11-13-8-4-6-10-16(13)14/h2-11H,1H2

InChI Key

OGOYZCQQQFAGRI-UHFFFAOYSA-N

Formula

C16H12

SMILES

C=Cc1c2ccccc2cc2ccccc12

Molecular Weight¹

204.27

Other Names

• 9-Ethenyl anthracene
• 9-Vinylanthracene

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

Property	Value	Unit	Source
ΔfH°gas	326.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.22	kJ/mol	Joback Calculated Property
ΔvapH°	84.44	kJ/mol	Relay (1.0) Calculated Property
IE	7.28	eV	Relay (1.0) Calculated Property
log10WS	-5.66		Relay (1.0) Calculated Property
logPoct/wat	4.636		Crippen Calculated Property
McVol	169.320	ml/mol	McGowan Calculated Property
Pc	2709.85	kPa	Joback Calculated Property
Inp	[311.60; 336.76]
Inp	311.60		NIST
Inp	311.70		NIST
Inp	334.13		NIST
Inp	334.63		NIST
Inp	336.76		NIST
Inp	311.60		NIST
Tboil	638.33	K	Relay (1.0) Calculated Property
Tc	907.59	K	Relay (1.0) Calculated Property
Tfus	337.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.622	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.94; 510.10]	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			-8.28400e+01
Coefficient B			1.29850e+00
Coefficient C			-1.04006e-03
Coefficient D			3.34500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.94	J/mol×K	273.00	Calculated Property
Cp,gas	261.18	J/mol×K	353.78	Calculated Property
Cp,gas	312.48	J/mol×K	434.56	Calculated Property
Cp,gas	355.89	J/mol×K	515.33	Calculated Property
Cp,gas	392.48	J/mol×K	596.11	Calculated Property
Cp,gas	423.31	J/mol×K	676.89	Calculated Property
Cp,gas	449.42	J/mol×K	757.67	Calculated Property
Cp,gas	471.89	J/mol×K	838.44	Calculated Property
Cp,gas	491.76	J/mol×K	919.22	Calculated Property
Cp,gas	510.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020383; 0.0004675]	Pa×s	[337.15; 620.27]	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			-9.42155e+00
Coefficient B			1.08762e+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.			337.15
Temperature range, max.			620.27
η	0.0020383	Pa×s	337.15	Calculated Property
η	0.0015478	Pa×s	368.61	Calculated Property
η	0.0012273	Pa×s	400.07	Calculated Property
η	0.0010067	Pa×s	431.52	Calculated Property
η	0.0008482	Pa×s	462.98	Calculated Property
η	0.0007305	Pa×s	494.44	Calculated Property
η	0.0006404	Pa×s	525.90	Calculated Property
η	0.0005698	Pa×s	557.35	Calculated Property
η	0.0005134	Pa×s	588.81	Calculated Property
η	0.0004675	Pa×s	620.27	Calculated Property

Similar Compounds

Find more compounds similar to Anthracene, 9-ethenyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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