Chemical Properties of tert-Butyl-(4-nitro-benzylidene)-amine

InChI

InChI=1S/C11H14N2O2/c1-11(2,3)12-8-9-4-6-10(7-5-9)13(14)15/h4-8H,1-3H3

InChI Key

BZCRPTQYJYKZDH-UHFFFAOYSA-N

Formula

C11H14N2O2

SMILES

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

Molecular Weight¹

206.25

Other Names

• tert-Butyl-(4-nitro-benzylidene)-amine

• Δ_cH°_solid : Standard solid enthalpy of combustion (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_subH° : Enthalpy of sublimation 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-6287.70 ± 1.00	kJ/mol	NIST
ΔfH°gas	49.40 ± 3.60	kJ/mol	NIST
ΔfH°solid	-41.70 ± 1.80	kJ/mol	NIST
ΔsubH°	[91.10; 91.10]	kJ/mol
ΔsubH°	91.10 ± 3.10	kJ/mol	NIST
ΔsubH°	91.10 ± 3.10	kJ/mol	NIST
IE	9.16	eV	Relay (1.0) Calculated Property
log10WS	-2.87		Relay (1.0) Calculated Property
logPoct/wat	2.812		Crippen Calculated Property
McVol	165.190	ml/mol	McGowan Calculated Property
Tboil	551.20	K	Relay (1.0) Calculated Property
Tfus	373.24	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Similar Compounds

Find more compounds similar to tert-Butyl-(4-nitro-benzylidene)-amine.

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.