Chemical Properties of Benzene, 1-ethynyl-4-nitro- (CAS 937-31-5)

InChI

InChI=1S/C8H5NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H

InChI Key

GAZZTEJDUGESGQ-UHFFFAOYSA-N

Formula

C8H5NO2

SMILES

C#Cc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

147.13

CAS

937-31-5

Other Names

• 4-Nitrophenylacetylene
• 1-Ethynyl-4-nitrobenzene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.08; 277.82]	J/mol×K	[556.06; 820.27]
Cp,gas	228.08	J/mol×K	556.06	Joback Calculated Property
Cp,gas	238.38	J/mol×K	600.09	Joback Calculated Property
Cp,gas	247.79	J/mol×K	644.13	Joback Calculated Property
Cp,gas	256.38	J/mol×K	688.16	Joback Calculated Property
Cp,gas	264.20	J/mol×K	732.20	Joback Calculated Property
Cp,gas	271.33	J/mol×K	776.23	Joback Calculated Property
Cp,gas	277.82	J/mol×K	820.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzene, 1-ethynyl-4-nitro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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