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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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
ΔfG°	310.87	kJ/mol	Joback Calculated Property
ΔfH°gas	155.39	kJ/mol	Joback Calculated Property
ΔfusH°	19.99	kJ/mol	Joback Calculated Property
ΔvapH°	51.71	kJ/mol	Joback Calculated Property
IE	[7.70; 7.90]	eV
IE	7.70	eV	NIST
IE	7.90	eV	NIST
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	3.871		Crippen Calculated Property
McVol	160.600	ml/mol	McGowan Calculated Property
Pc	2693.00	kPa	Joback Calculated Property
Tboil	576.17	K	Joback Calculated Property
Tc	817.05	K	Joback Calculated Property
Tfus	299.54	K	Joback Calculated Property
Vc	0.610	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.12; 456.08]	J/mol×K	[576.17; 817.05]
Cp,gas	371.12	J/mol×K	576.17	Joback Calculated Property
Cp,gas	388.17	J/mol×K	616.32	Joback Calculated Property
Cp,gas	403.94	J/mol×K	656.46	Joback Calculated Property
Cp,gas	418.53	J/mol×K	696.61	Joback Calculated Property
Cp,gas	432.02	J/mol×K	736.76	Joback Calculated Property
Cp,gas	444.51	J/mol×K	776.90	Joback Calculated Property
Cp,gas	456.08	J/mol×K	817.05	Joback 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

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

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