Chemical Properties of 1,4-Ethenoanthracene, 1,4-dihydro- (CAS 27765-96-4)

InChI

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

InChI Key

FSVHOWXJQOZKEV-UHFFFAOYSA-N

Formula

C16H12

SMILES

C1=CC2C=CC1c1cc3ccccc3cc12

Molecular Weight¹

204.27

CAS

27765-96-4

Other Names

• 2,3-Naphthobarrelene
• 1,4-Dihydro-1,4-ethenoanthracene

• ω : Acentric Factor.
• 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_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
ω	0.3677		Relay (1.0) Calculated Property
ΔfH°gas	439.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.19	kJ/mol	Joback Calculated Property
ΔvapH°	85.73	kJ/mol	Relay (1.0) Calculated Property
IE	7.52	eV	Relay (1.0) Calculated Property
log10WS	-5.46		Relay (1.0) Calculated Property
logPoct/wat	4.147		Crippen Calculated Property
McVol	162.760	ml/mol	McGowan Calculated Property
Pc	2841.41	kPa	Joback Calculated Property
Inp	[335.80; 342.20]
Inp	342.20		NIST
Inp	335.80		NIST
Inp	336.60		NIST
Inp	342.20		NIST
Tboil	610.11	K	Relay (1.0) Calculated Property
Tc	884.73	K	Relay (1.0) Calculated Property
Tfus	494.53	K	Relay (1.0) Calculated Property
Vc	0.601	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it 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 1,4-Ethenoanthracene, 1,4-dihydro-.

Sources

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

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