Chemical Properties of Fenalamide (CAS 4551-59-1)

InChI

InChI=1S/C19H30N2O3/c1-5-19(18(23)24-8-4,16-12-10-9-11-13-16)17(22)20-14-15-21(6-2)7-3/h9-13H,5-8,14-15H2,1-4H3,(H,20,22)

InChI Key

RMQKPRRJSKFBRU-UHFFFAOYSA-N

Formula

C19H30N2O3

SMILES

CCOC(=O)C(CC)(C(=O)NCCN(CC)CC)c1ccccc1

Molecular Weight¹

334.45

CAS

4551-59-1

• 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	0.7794		Relay (1.0) Calculated Property
ΔfG°	61.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-575.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.10	kJ/mol	Joback Calculated Property
ΔvapH°	86.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-2.55		Relay (1.0) Calculated Property
logPoct/wat	2.356		Crippen Calculated Property
McVol	283.780	ml/mol	McGowan Calculated Property
Pc	1511.67	kPa	Joback Calculated Property
Inp	[2169.00; 2169.00]
Inp	2169.00		NIST
Inp	2169.00		NIST
Tboil	626.38	K	Relay (1.0) Calculated Property
Tc	852.39	K	Relay (1.0) Calculated Property
Tfus	373.05	K	Relay (1.0) Calculated Property
Vc	0.994	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[892.85; 972.68]	J/mol×K	[850.34; 1057.15]
Cp,gas	892.85	J/mol×K	850.34	Joback Calculated Property
Cp,gas	908.67	J/mol×K	884.81	Joback Calculated Property
Cp,gas	923.39	J/mol×K	919.28	Joback Calculated Property
Cp,gas	937.08	J/mol×K	953.74	Joback Calculated Property
Cp,gas	949.81	J/mol×K	988.21	Joback Calculated Property
Cp,gas	961.65	J/mol×K	1022.68	Joback Calculated Property
Cp,gas	972.68	J/mol×K	1057.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fenalamide.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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