Chemical Properties of 12,12-Dimethyl-11-methylenebicyclo[4.4.1]undeca-1,3,5,7,9-pentaene (CAS 88635-77-2)

InChI

InChI=1S/C14H14/c1-11(2)14-12-7-3-4-8-13(14)10-6-5-9-12/h3-10H,1-2H3

InChI Key

HQHJTKCDGOIONO-UHFFFAOYSA-N

Formula

C14H14

SMILES

CC(C)=C1C2=CC=CC=C1C=CC=C2

Molecular Weight¹

182.26

CAS

88635-77-2

Other Names

• 11-(2-Methylethylidene)1,6-methano[10]annulene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	335.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.99	kJ/mol	Joback Calculated Property
ΔvapH°	61.11	kJ/mol	Relay (1.0) Calculated Property
IE	[7.70; 7.90]	eV
IE	7.70	eV	NIST
IE	7.90	eV	NIST
logPoct/wat	3.871		Crippen Calculated Property
McVol	160.600	ml/mol	McGowan Calculated Property
Tfus	327.12	K	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[191.79; 499.82]	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			-6.89000e+01
Coefficient B			1.16404e+00
Coefficient C			-8.30120e-04
Coefficient D			2.34800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	191.79	J/mol×K	273.00	Calculated Property
Cp,gas	249.41	J/mol×K	353.78	Calculated Property
Cp,gas	299.45	J/mol×K	434.56	Calculated Property
Cp,gas	342.65	J/mol×K	515.33	Calculated Property
Cp,gas	379.75	J/mol×K	596.11	Calculated Property
Cp,gas	411.50	J/mol×K	676.89	Calculated Property
Cp,gas	438.64	J/mol×K	757.67	Calculated Property
Cp,gas	461.91	J/mol×K	838.44	Calculated Property
Cp,gas	482.06	J/mol×K	919.22	Calculated Property
Cp,gas	499.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 12,12-Dimethyl-11-methylenebicyclo[4.4.1]undeca-1,3,5,7,9-pentaene.

Sources

• Cheméo Relay (1.0)
• 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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