Chemical Properties of 4-Allyl-5-amino veratrole (CAS 30058-51-6)

InChI

InChI=1S/C11H15NO2/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7H,1,5,12H2,2-3H3

InChI Key

HFEJTRNCHBWDOQ-UHFFFAOYSA-N

Formula

C11H15NO2

SMILES

C=CCc1cc(OC)c(OC)cc1N

Molecular Weight¹

193.24

CAS

30058-51-6

Other Names

• 2-Allyl-4,5-dimethoxyaniline

• 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_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).
• 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
ΔfG°	69.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-173.47	kJ/mol	Joback Calculated Property
ΔfusH°	23.41	kJ/mol	Joback Calculated Property
ΔvapH°	59.13	kJ/mol	Joback Calculated Property
log10WS	-2.42		Crippen Calculated Property
logPoct/wat	2.014		Crippen Calculated Property
McVol	159.510	ml/mol	McGowan Calculated Property
Pc	2704.22	kPa	Joback Calculated Property
Inp	[1681.00; 1681.00]
Inp	1681.00		NIST
Inp	1681.00		NIST
Tboil	606.75	K	Joback Calculated Property
Tc	821.52	K	Joback Calculated Property
Tfus	403.67	K	Joback Calculated Property
Vc	0.590	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[391.27; 463.18]	J/mol×K	[606.75; 821.52]
Cp,gas	391.27	J/mol×K	606.75	Joback Calculated Property
Cp,gas	404.99	J/mol×K	642.54	Joback Calculated Property
Cp,gas	418.02	J/mol×K	678.34	Joback Calculated Property
Cp,gas	430.36	J/mol×K	714.13	Joback Calculated Property
Cp,gas	442.00	J/mol×K	749.93	Joback Calculated Property
Cp,gas	452.94	J/mol×K	785.72	Joback Calculated Property
Cp,gas	463.18	J/mol×K	821.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Allyl-5-amino veratrole.

Sources

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

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