Chemical Properties of N-(4-methoxybenzyl)formamide (CAS 17061-63-1)

InChI

InChI=1S/C9H11NO2/c1-12-9-4-2-8(3-5-9)6-10-7-11/h2-5,7H,6H2,1H3,(H,10,11)

InChI Key

DATDKKQVOOSHGC-UHFFFAOYSA-N

Formula

C9H11NO2

SMILES

COc1ccc(CN=CO)cc1

Molecular Weight¹

165.19

CAS

17061-63-1

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.6830		Relay (1.0) Calculated Property
ΔfG°	40.24	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-199.40	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	94.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-1.54		Relay (1.0) Calculated Property
logPoct/wat	1.781		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Pc	3100.18	kPa	Joback Calculated Property
Inp	[1674.10; 1674.10]
Inp	1674.10		NIST
Inp	1674.10		NIST
Tboil	597.70	K	Relay (1.0) Calculated Property
Tc	762.20	K	Relay (1.0) Calculated Property
Tfus	327.97	K	Relay (1.0) Calculated Property
Vc	0.464	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to N-(4-methoxybenzyl)formamide.

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

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