Chemical Properties of Acetophenone, 5'-chloro-2'-nitro- (CAS 18640-60-3)

InChI

InChI=1S/C8H6ClNO3/c1-5(11)7-4-6(9)2-3-8(7)10(12)13/h2-4H,1H3

InChI Key

HVXQVXNQKCPSLH-UHFFFAOYSA-N

Formula

C8H6ClNO3

SMILES

CC(=O)c1cc(Cl)ccc1[N+](=O)[O-]

Molecular Weight¹

199.59

CAS

18640-60-3

• 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	[295.22; 341.26]	J/mol×K	[662.22; 917.82]
Cp,gas	295.22	J/mol×K	662.22	Joback Calculated Property
Cp,gas	304.78	J/mol×K	704.82	Joback Calculated Property
Cp,gas	313.53	J/mol×K	747.42	Joback Calculated Property
Cp,gas	321.52	J/mol×K	790.02	Joback Calculated Property
Cp,gas	328.78	J/mol×K	832.62	Joback Calculated Property
Cp,gas	335.35	J/mol×K	875.22	Joback Calculated Property
Cp,gas	341.26	J/mol×K	917.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetophenone, 5'-chloro-2'-nitro-.

Sources

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

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