Chemical Properties of Naftidrofuryl (CAS 31329-57-4)

InChI

InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3

InChI Key

KBAFPSLPKGSANY-UHFFFAOYSA-N

Formula

C24H33NO3

SMILES

CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1

Molecular Weight¹

383.52

CAS

31329-57-4

Other Names

• 2-Furanpropanoic acid, tetrahydro-«alpha»-(1-naphthalenylmethyl)-, 2-(diethylamino)ethyl ester
• 2-Furanpropionic acid, tetrahydro-«alpha»-(1-naphthylmethyl)-, 2-(diethylamino)ethyl ester
• N-Diethylaminoethyl «beta»-(1-naphthyl)-«beta»-tetrahydrofuryl isobutyrate
• 2-(Diethylamino)ethyl tetrahydro-«alpha»-(1-naphthylmethyl)-2-furanpropionate
• Nafronyl
• 3-(1-Naphthyl)-2-tetrahydrofurfurylpropionic acid 2-(diethylamino)ethyl ester
• «alpha»-Tetrahydrofurfuryl-1-naphthalenepropionic acid 2-(diethylamino)ethyl ester
• Tetrahydro-«alpha»-(1-naphthalenylmethyl)-2-furanpropanoic acid 2-(diethylamino)ethyl ester
• Tetrahydro-«alpha»-(1-naphthylmethyl)-2-furanpropanoic acid 2-(diethylamino)ethyl ester
• Tridus
• 2-(Diethylamino)ethyl ester tetrahydro-«alpha»-(1-naphthalenylmethyl)-2-furanpropanic acid
• Gevatran
• 2-(Diethylamino)ethyl 3-(1-naphthyl)-2-(tetrahydro-2-furanylmethyl)propanoate
• 2-(Diethylamino)ethyl tetrahydro-«alpha»-(1-naphthylmethyl)-2-furanpropionate ester
• LS 84
• Naphtidrofuryl

• 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	0.8443		Relay (... Calculated Property
ΔfG°	185.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-500.76	kJ/mol	Relay (... Calculated Property
ΔfusH°	52.79	kJ/mol	Joback Calculated Property
ΔvapH°	120.43	kJ/mol	Relay (... Calculated Property
IE	7.93	eV	Relay (... Calculated Property
log10WS	-3.54		Relay (... Calculated Property
logPoct/wat	4.453		Crippen Calculated Property
McVol	318.230	ml/mol	McGowan Calculated Property
Pc	1333.93	kPa	Joback Calculated Property
Inp	[2786.00; 2786.00]
Inp	2786.00		NIST
Inp	2786.00		NIST
Tboil	722.66	K	Relay (... Calculated Property
Tc	953.52	K	Relay (... Calculated Property
Tfus	317.94	K	Relay (... Calculated Property
Vc	1.162	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1062.11; 1150.68]	J/mol×K	[929.68; 1152.44]
Cp,gas	1062.11	J/mol×K	929.68	Joback Calculated Property
Cp,gas	1079.52	J/mol×K	966.81	Joback Calculated Property
Cp,gas	1095.73	J/mol×K	1003.93	Joback Calculated Property
Cp,gas	1110.84	J/mol×K	1041.06	Joback Calculated Property
Cp,gas	1124.96	J/mol×K	1078.19	Joback Calculated Property
Cp,gas	1138.20	J/mol×K	1115.31	Joback Calculated Property
Cp,gas	1150.68	J/mol×K	1152.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Naftidrofuryl.

Sources

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

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