Chemical Properties of BICYCLO[4.4.1]UNDECA-1,3,5,7,9-PENTAENE

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

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_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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boilr : Boiling point at reduced pressure (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-6011.99	kJ/mol	NIST
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
logPoct/wat	2.925		Crippen Calculated Property
McVol	122.630	ml/mol	McGowan Calculated Property
Tfus	301.50 ± 0.50	K	NIST

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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.

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

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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