Chemical Properties of Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene (CAS 2443-46-1)

InChI

InChI=1S/C11H10/c1-2-6-11-8-4-3-7-10(5-1)9-11/h1-8H,9H2

InChI Key

OORRQYZWSVJKSO-UHFFFAOYSA-N

Formula

C11H10

SMILES

C1=CC=C2C=CC=CC(=C1)C2

Molecular Weight¹

142.20

CAS

2443-46-1

Other Names

• 1,6-Methano[10]annulene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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_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
ΔcH°liquid	-6011.99	kJ/mol	NIST
ΔfG°	248.70	kJ/mol	Joback Calculated Property
ΔfH°gas	[315.00; 323.00]	kJ/mol
ΔfH°gas	323.00	kJ/mol	NIST
ΔfH°gas	315.00 ± 3.00	kJ/mol	NIST
ΔfH°liquid	254.00 ± 2.00	kJ/mol	NIST
ΔfusH°	13.21	kJ/mol	Joback Calculated Property
ΔvapH°	[60.75; 61.00]	kJ/mol
ΔvapH°	60.75	kJ/mol	NIST
ΔvapH°	61.00	kJ/mol	NIST
IE	[7.70; 7.92]	eV
IE	7.70	eV	NIST
IE	7.92	eV	NIST
IE	7.90	eV	NIST
log10WS	-3.48		Crippen Calculated Property
logPoct/wat	2.925		Crippen Calculated Property
McVol	122.630	ml/mol	McGowan Calculated Property
Pc	3572.80	kPa	Joback Calculated Property
Tboil	501.01	K	Joback Calculated Property
Tc	743.67	K	Joback Calculated Property
Tfus	301.50 ± 0.50	K	NIST
Vc	0.458	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.65; 329.61]	J/mol×K	[501.01; 743.67]
Cp,gas	251.65	J/mol×K	501.01	Joback Calculated Property
Cp,gas	267.47	J/mol×K	541.45	Joback Calculated Property
Cp,gas	282.05	J/mol×K	581.90	Joback Calculated Property
Cp,gas	295.48	J/mol×K	622.34	Joback Calculated Property
Cp,gas	307.83	J/mol×K	662.79	Joback Calculated Property
Cp,gas	319.18	J/mol×K	703.23	Joback Calculated Property
Cp,gas	329.61	J/mol×K	743.67	Joback Calculated Property
η	[0.0002615; 0.0024177]	Pa×s	[269.33; 501.01]
η	0.0024177	Pa×s	269.33	Joback Calculated Property
η	0.0013227	Pa×s	307.94	Joback Calculated Property
η	0.0008278	Pa×s	346.56	Joback Calculated Property
η	0.0005691	Pa×s	385.17	Joback Calculated Property
η	0.0004189	Pa×s	423.78	Joback Calculated Property
η	0.0003245	Pa×s	462.40	Joback Calculated Property
η	0.0002615	Pa×s	501.01	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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