Chemical Properties of Selenophene (CAS 288-05-1)

InChI

InChI=1S/C4H4Se/c1-2-4-5-3-1/h1-4H

InChI Key

MABNMNVCOAICNO-UHFFFAOYSA-N

Formula

C4H4Se

SMILES

c1cc[se]c1

Molecular Weight¹

131.03

CAS

288-05-1

• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• P_vap : Vapor pressure (kPa).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	38.10 ± 0.70	kJ/mol	NIST
IE	[8.78; 9.01]	eV
IE	8.96	eV	NIST
IE	8.78	eV	NIST
IE	8.96	eV	NIST
IE	9.01 ± 0.05	eV	NIST
IE	9.01 ± 0.05	eV	NIST
IE	8.92	eV	NIST
IE	8.80	eV	NIST
IE	8.92	eV	NIST
logPoct/wat	0.744		Crippen 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, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔsubH	47.10	kJ/mol	225.50	NIST
ΔvapH	[34.00; 40.80]	kJ/mol	[267.00; 310.50]
ΔvapH	40.80	kJ/mol	267.00	NIST
ΔvapH	34.00	kJ/mol	310.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[288.08; 404.71]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.85069e+01
Coefficient B			-5.58093e+03
Coefficient C			1.82350e+01
Temperature range, min.			288.08
Temperature range, max.			404.71
Pvap	1.33	kPa	288.08	Calculated Property
Pvap	2.79	kPa	301.04	Calculated Property
Pvap	5.52	kPa	314.00	Calculated Property
Pvap	10.37	kPa	326.96	Calculated Property
Pvap	18.62	kPa	339.92	Calculated Property
Pvap	32.09	kPa	352.87	Calculated Property
Pvap	53.30	kPa	365.83	Calculated Property
Pvap	85.64	kPa	378.79	Calculated Property
Pvap	133.55	kPa	391.75	Calculated Property
Pvap	202.66	kPa	404.71	Calculated Property

Similar Compounds

Find more compounds similar to Selenophene.

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
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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.
These property values are available through the Cheméo API. A free account gives you an access key.