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

• ω : Acentric Factor.
• 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).
• 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	0.6226		Relay (... Calculated Property
ΔfG°	69.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-155.82	kJ/mol	Relay (... Calculated Property
ΔfusH°	23.41	kJ/mol	Joback Calculated Property
ΔvapH°	79.00	kJ/mol	Relay (... Calculated Property
IE	7.27	eV	Relay (... Calculated Property
log10WS	-2.39		Relay (... 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	584.04	K	Relay (... Calculated Property
Tc	772.45	K	Relay (... Calculated Property
Tfus	337.98	K	Relay (... Calculated Property
Vc	0.558	m3/kmol	Relay (... 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

• Cheméo Relay (1.0)
• 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.