Chemical Properties of 3,4-Dioxymethylenebenzylidenephenylacetonitrile (CAS 6948-55-6)

InChI

InChI=1S/C16H11NO2/c17-10-14(13-4-2-1-3-5-13)8-12-6-7-15-16(9-12)19-11-18-15/h1-9H,11H2/b14-8+

InChI Key

GNNCFMBWTKSMJN-RIYZIHGNSA-N

Formula

C16H11NO2

SMILES

N#CC(=Cc1ccc2c(c1)OCO2)c1ccccc1

Molecular Weight¹

249.26

CAS

6948-55-6

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase 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	[510.16; 573.33]	J/mol×K	[800.23; 1065.10]
Cp,gas	510.16	J/mol×K	800.23	Joback Calculated Property
Cp,gas	522.39	J/mol×K	844.37	Joback Calculated Property
Cp,gas	533.71	J/mol×K	888.52	Joback Calculated Property
Cp,gas	544.29	J/mol×K	932.66	Joback Calculated Property
Cp,gas	554.31	J/mol×K	976.81	Joback Calculated Property
Cp,gas	563.93	J/mol×K	1020.95	Joback Calculated Property
Cp,gas	573.33	J/mol×K	1065.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dioxymethylenebenzylidenephenylacetonitrile.

Sources

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

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