Chemical Properties of Fenproporex-M (HO-methoxy-), 2AC

InChI

InChI=1S/C17H22N2O4/c1-12(19(13(2)20)9-5-8-18)10-15-6-7-16(23-14(3)21)11-17(15)22-4/h6-7,11-12H,5,9-10H2,1-4H3

InChI Key

YYZUVNKTGDQKDF-UHFFFAOYSA-N

Formula

C17H22N2O4

SMILES

COc1cc(OC(C)=O)ccc1CC(C)N(CCC#N)C(C)=O

Molecular Weight¹

318.37

• 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	0.8719		Relay (... Calculated Property
ΔfG°	-40.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-543.48	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.63	kJ/mol	Joback Calculated Property
ΔvapH°	108.79	kJ/mol	Relay (... Calculated Property
IE	8.27	eV	Relay (... Calculated Property
log10WS	-2.23		Relay (... Calculated Property
logPoct/wat	2.314		Crippen Calculated Property
McVol	252.870	ml/mol	McGowan Calculated Property
Pc	1631.17	kPa	Joback Calculated Property
Inp	[2495.00; 2495.00]
Inp	2495.00		NIST
Inp	2495.00		NIST
Tboil	655.87	K	Relay (... Calculated Property
Tc	882.78	K	Relay (... Calculated Property
Tfus	377.39	K	Relay (... Calculated Property
Vc	0.895	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[768.16; 825.74]	J/mol×K	[891.66; 1107.88]
Cp,gas	768.16	J/mol×K	891.66	Joback Calculated Property
Cp,gas	780.48	J/mol×K	927.70	Joback Calculated Property
Cp,gas	791.68	J/mol×K	963.73	Joback Calculated Property
Cp,gas	801.79	J/mol×K	999.77	Joback Calculated Property
Cp,gas	810.82	J/mol×K	1035.80	Joback Calculated Property
Cp,gas	818.80	J/mol×K	1071.84	Joback Calculated Property
Cp,gas	825.74	J/mol×K	1107.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fenproporex-M (HO-methoxy-), 2AC.

Sources

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

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