Chemical Properties of 4'-Nitro-3-(2-thienyl)acrylophenone (CAS 6028-92-8)

InChI

InChI=1S/C13H9NO3S/c15-13(8-7-12-2-1-9-18-12)10-3-5-11(6-4-10)14(16)17/h1-9H/b8-7+

InChI Key

QZLINQZBUKTXIZ-BQYQJAHWSA-N

Formula

C13H9NO3S

SMILES

O=C(C=Cc1cccs1)c1ccc([N+](=O)[O-])cc1

Molecular Weight¹

259.28

CAS

6028-92-8

Other Names

• 2'-Thienylidene-4-nitroacetophenone
• 1-(4-Nitrophenyl)-3-(2-thienyl)-prop-2-en-1-one
• 1-(4-Nitrophenyl)-3-(2-thienyl)-2-propen-1-one

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to 4'-Nitro-3-(2-thienyl)acrylophenone.

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
• McGowan Method
• NIST Webbook

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