Chemical Properties of Tricyclo[4.4.2.0(1,6)dodeca-2,4,8-triene (CAS 60329-21-7)

InChI

InChI=1S/C12H14/c1-2-6-12-8-4-3-7-11(12,5-1)9-10-12/h1-6H,7-10H2

InChI Key

ZBPOAKOSAXPANN-UHFFFAOYSA-N

Formula

C12H14

SMILES

C1=CC23CC=CCC2(C=C1)CC3

Molecular Weight¹

158.24

CAS

60329-21-7

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	[276.00; 276.60]	kJ/mol
ΔfH°gas	276.60	kJ/mol	NIST
ΔfH°gas	276.00	kJ/mol	NIST
ΔfusH°	4.94	kJ/mol	Joback Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
logPoct/wat	3.229		Crippen Calculated Property
McVol	134.460	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, 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	[145.50; 497.07]	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			-2.56690e+02
Coefficient B			2.01000e+00
Coefficient C			-2.23284e-03
Coefficient D			9.76600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.50	J/mol×K	273.00	Calculated Property
Cp,gas	218.19	J/mol×K	353.78	Calculated Property
Cp,gas	275.26	J/mol×K	434.56	Calculated Property
Cp,gas	319.81	J/mol×K	515.33	Calculated Property
Cp,gas	354.93	J/mol×K	596.11	Calculated Property
Cp,gas	383.70	J/mol×K	676.89	Calculated Property
Cp,gas	409.21	J/mol×K	757.67	Calculated Property
Cp,gas	434.55	J/mol×K	838.44	Calculated Property
Cp,gas	462.80	J/mol×K	919.22	Calculated Property
Cp,gas	497.07	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Tricyclo[4.4.2.0(1,6)dodeca-2,4,8-triene.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.