Chemical Properties of p-Nitrobenzylidene tert-butylamine (CAS 718-36-5)

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

206.24

CAS

718-36-5

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).
• 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).
• 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
ΔvapH°	61.63	kJ/mol	Joback Calculated Property
log10WS	-3.56		Crippen Calculated Property
logPoct/wat	2.812		Crippen Calculated Property
McVol	165.190	ml/mol	McGowan Calculated Property
Pc	2421.88	kPa	Joback Calculated Property
Tboil	708.03	K	Joback Calculated Property
Tc	966.32	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to p-Nitrobenzylidene tert-butylamine.

Sources

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

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