Chemical Properties of 2,5-Etheno[4.2.2]propella-3,7,9-triene

InChI

InChI=1S/C12H10/c1-2-10-4-3-9(1)11-5-7-12(10,11)8-6-11/h1-10H

InChI Key

RDIUVVQMLJOTAO-UHFFFAOYSA-N

Formula

C12H10

SMILES

C1=CC2C=CC1C13C=CC21C=C3

Molecular Weight¹

154.21

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ΔfusH°	11.67	kJ/mol	Joback Calculated Property
IE	[8.00; 8.14]	eV
IE	8.00	eV	NIST
IE	8.14	eV	NIST
logPoct/wat	2.471		Crippen Calculated Property
McVol	119.300	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 formation at standard conditions, 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	[132.52; 446.83]	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			-2.77850e+02
Coefficient B			2.10720e+00
Coefficient C			-2.52412e-03
Coefficient D			1.14160e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	132.52	J/mol×K	273.00	Calculated Property
Cp,gas	202.26	J/mol×K	353.78	Calculated Property
Cp,gas	254.88	J/mol×K	434.56	Calculated Property
Cp,gas	293.97	J/mol×K	515.33	Calculated Property
Cp,gas	323.16	J/mol×K	596.11	Calculated Property
Cp,gas	346.04	J/mol×K	676.89	Calculated Property
Cp,gas	366.25	J/mol×K	757.67	Calculated Property
Cp,gas	387.37	J/mol×K	838.44	Calculated Property
Cp,gas	413.03	J/mol×K	919.22	Calculated Property
Cp,gas	446.83	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Etheno[4.2.2]propella-3,7,9-triene.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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