Chemical Properties of (o-Nitrobenzylidene)phenylacetonitrile (CAS 19016-67-2)

InChI

InChI=1S/C15H10N2O2/c16-11-14(12-6-2-1-3-7-12)10-13-8-4-5-9-15(13)17(18)19/h1-10H/b14-10+

InChI Key

QKDHOOPDLFPJKV-GXDHUFHOSA-N

Formula

C15H10N2O2

SMILES

N#CC(=Cc1ccccc1[N+](=O)[O-])c1ccccc1

Molecular Weight¹

250.25

CAS

19016-67-2

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	[-7519.00; -7515.64]	kJ/mol
ΔcH°solid	-7519.00	kJ/mol	NIST
ΔcH°solid	-7515.64	kJ/mol	NIST
ΔfH°solid	[183.80; 187.00]	kJ/mol
ΔfH°solid	187.00	kJ/mol	NIST
ΔfH°solid	183.80	kJ/mol	NIST
ΔfusH°	34.06	kJ/mol	Joback Calculated Property
IE	8.61	eV	Relay (1.0) Calculated Property
log10WS	-5.04		Relay (1.0) Calculated Property
logPoct/wat	3.659		Crippen Calculated Property
McVol	189.190	ml/mol	McGowan Calculated Property
Tfus	388.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[514.14; 569.03]	J/mol×K	[858.90; 1137.09]
Cp,gas	514.14	J/mol×K	858.90	Joback Calculated Property
Cp,gas	525.21	J/mol×K	905.26	Joback Calculated Property
Cp,gas	535.30	J/mol×K	951.63	Joback Calculated Property
Cp,gas	544.57	J/mol×K	997.99	Joback Calculated Property
Cp,gas	553.19	J/mol×K	1044.36	Joback Calculated Property
Cp,gas	561.29	J/mol×K	1090.72	Joback Calculated Property
Cp,gas	569.03	J/mol×K	1137.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to (o-Nitrobenzylidene)phenylacetonitrile.

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
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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