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

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

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.

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Physical Properties

Property	Value	Unit	Source
Δ_fG°	185.48	kJ/mol	Joback Calculated Property
Δ_fH°_gas	-376.63	kJ/mol	Joback Calculated Property
Δ_fusH°	52.79	kJ/mol	Joback Calculated Property
Δ_vapH°	89.17	kJ/mol	Joback Calculated Property
log₁₀WS	-5.39		Crippen Calculated Property
logP_oct/wat	4.453		Crippen Calculated Property
McVol	318.230	ml/mol	McGowan Calculated Property
P_c	1333.93	kPa	Joback Calculated Property
I_np	[2786.00; 2786.00]
I_np	2786.00		NIST
I_np	2786.00		NIST
T_boil	929.68	K	Joback Calculated Property
T_c	1152.44	K	Joback Calculated Property
T_fus	558.98	K	Joback Calculated Property
V_c	1.192	m³/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[1062.11; 1150.68]	J/mol×K	[929.68; 1152.44]

C_p,gas	1062.11	J/mol×K	929.68	Joback Calculated Property
C_p,gas	1079.52	J/mol×K	966.81	Joback Calculated Property
C_p,gas	1095.73	J/mol×K	1003.93	Joback Calculated Property
C_p,gas	1110.84	J/mol×K	1041.06	Joback Calculated Property
C_p,gas	1124.96	J/mol×K	1078.19	Joback Calculated Property
C_p,gas	1138.20	J/mol×K	1115.31	Joback Calculated Property
C_p,gas	1150.68	J/mol×K	1152.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Naftidrofuryl.

Sources

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