Chemical Properties of 2,4-Dinitrothiophene (CAS 5347-12-6)

InChI

InChI=1S/C4H2N2O4S/c7-5(8)3-1-4(6(9)10)11-2-3/h1-2H

InChI Key

RZKBGZBDWAUWMC-UHFFFAOYSA-N

Formula

C4H2N2O4S

SMILES

O=[N+]([O-])c1csc([N+](=O)[O-])c1

Molecular Weight¹

174.13

CAS

5347-12-6

Other Names

• Thiophene, 2,4-dinitro-

• 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.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.30; 202.66]	kPa	[388.00; 598.89]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.72922e+01
Coefficient B			-7.17509e+03
Temperature range, min.			388.00
Temperature range, max.			598.89
Pvap	0.30	kPa	388.00	Calculated Property
Pvap	0.86	kPa	411.43	Calculated Property
Pvap	2.21	kPa	434.86	Calculated Property
Pvap	5.14	kPa	458.30	Calculated Property
Pvap	11.00	kPa	481.73	Calculated Property
Pvap	21.95	kPa	505.16	Calculated Property
Pvap	41.19	kPa	528.59	Calculated Property
Pvap	73.29	kPa	552.03	Calculated Property
Pvap	124.43	kPa	575.46	Calculated Property
Pvap	202.66	kPa	598.89	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dinitrothiophene.

Sources

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

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