Chemical Properties of Tetracyclo[4.2.2.2^2,5.0^1,6]dodeca-7,9-triene (CAS 106697-43-2)

InChI

InChI=1S/C12H14/c1-2-10-4-3-9(1)11-5-7-12(10,11)8-6-11/h5-10H,1-4H2

InChI Key

XGOOVFGSWURYBE-UHFFFAOYSA-N

Formula

C12H14

SMILES

C1=CC23C=CC12C1CCC3CC1

Molecular Weight¹

158.24

CAS

106697-43-2

Other Names

• Tetracyclo[4.2.2.2

• 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°	342.10	kJ/mol	Joback Calculated Property
ΔfH°gas	146.23	kJ/mol	Joback Calculated Property
ΔfusH°	9.22	kJ/mol	Joback Calculated Property
ΔvapH°	40.24	kJ/mol	Joback Calculated Property
IE	[8.30; 8.85]	eV
IE	8.30	eV	NIST
IE	8.85	eV	NIST
log10WS	-3.17		Crippen Calculated Property
logPoct/wat	2.919		Crippen Calculated Property
McVol	127.900	ml/mol	McGowan Calculated Property
Pc	3509.58	kPa	Joback Calculated Property
Tboil	499.72	K	Joback Calculated Property
Tc	740.60	K	Joback Calculated Property
Tfus	346.08	K	Joback Calculated Property
Vc	0.503	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[320.30; 412.04]	J/mol×K	[499.72; 740.60]
Cp,gas	320.30	J/mol×K	499.72	Joback Calculated Property
Cp,gas	339.88	J/mol×K	539.87	Joback Calculated Property
Cp,gas	357.16	J/mol×K	580.01	Joback Calculated Property
Cp,gas	372.57	J/mol×K	620.16	Joback Calculated Property
Cp,gas	386.57	J/mol×K	660.30	Joback Calculated Property
Cp,gas	399.58	J/mol×K	700.45	Joback Calculated Property
Cp,gas	412.04	J/mol×K	740.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tetracyclo[4.2.2.2^2,5.0^1,6]dodeca-7,9-triene.

Sources

• 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.