Chemical Properties of Benzeneselenol (CAS 645-96-5)

InChI

InChI=1S/C6H6Se/c7-6-4-2-1-3-5-6/h1-5,7H

InChI Key

WDODWFPDZYSKIA-UHFFFAOYSA-N

Formula

C6H6Se

SMILES

[SeH]c1ccccc1

Molecular Weight¹

157.07

CAS

645-96-5

Other Names

• Benzene, selenyl-
• Phenol, seleno-
• Phenyl selenol
• Selenophenol

• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	[7.70; 8.90]	eV
IE	7.70	eV	NIST
IE	8.90	eV	NIST
log10WS	-2.73		Crippen Calculated Property
logPoct/wat	0.213		Crippen Calculated Property
Tboil	456.70	K	NIST

Temperature Dependent Properties

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.08; 202.65]	kPa	[331.00; 484.88]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.65661e+01
Coefficient B			-5.45713e+03
Temperature range, min.			331.00
Temperature range, max.			484.88
Pvap	1.08	kPa	331.00	Calculated Property
Pvap	2.43	kPa	348.10	Calculated Property
Pvap	5.07	kPa	365.20	Calculated Property
Pvap	9.89	kPa	382.29	Calculated Property
Pvap	18.22	kPa	399.39	Calculated Property
Pvap	31.92	kPa	416.49	Calculated Property
Pvap	53.52	kPa	433.59	Calculated Property
Pvap	86.27	kPa	450.68	Calculated Property
Pvap	134.31	kPa	467.78	Calculated Property
Pvap	202.65	kPa	484.88	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneselenol.

Sources

• Crippen Method
• Crippen Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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