Chemical Properties of Benzoic acid, 3-amino-4-propoxy-, 2-(diethylamino)ethyl ester (CAS 499-67-2)

InChI

InChI=1S/C16H26N2O3/c1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3

InChI Key

KCLANYCVBBTKTO-UHFFFAOYSA-N

Formula

C16H26N2O3

SMILES

CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N

Molecular Weight¹

294.39

CAS

499-67-2

Other Names

• 3-Amino-4-propoxybenzoic acid 2-(diethylamino)ethyl ester
• 2-(Diethylamino)ethyl 3-amino-4-propoxybenzoate
• «beta»-(Diethylamino)ethyl 4-n-propoxybenzoate
• Proparacaine
• Proxymetacaine

• 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	0.9054		Relay (1.0) Calculated Property
ΔfG°	15.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-550.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.65	kJ/mol	Joback Calculated Property
ΔvapH°	87.15	kJ/mol	Relay (1.0) Calculated Property
IE	7.65	eV	Relay (1.0) Calculated Property
log10WS	-2.84		Relay (1.0) Calculated Property
logPoct/wat	2.556		Crippen Calculated Property
McVol	245.810	ml/mol	McGowan Calculated Property
Pc	1781.84	kPa	Joback Calculated Property
Inp	[2323.00; 2323.00]
Inp	2323.00		NIST
Inp	2323.00		NIST
Tboil	641.76	K	Relay (1.0) Calculated Property
Tc	832.19	K	Relay (1.0) Calculated Property
Tfus	314.17	K	Relay (1.0) Calculated Property
Vc	0.888	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.96; 816.62]	J/mol×K	[785.80; 988.00]
Cp,gas	737.96	J/mol×K	785.80	Joback Calculated Property
Cp,gas	753.56	J/mol×K	819.50	Joback Calculated Property
Cp,gas	768.14	J/mol×K	853.20	Joback Calculated Property
Cp,gas	781.72	J/mol×K	886.90	Joback Calculated Property
Cp,gas	794.31	J/mol×K	920.60	Joback Calculated Property
Cp,gas	805.94	J/mol×K	954.30	Joback Calculated Property
Cp,gas	816.62	J/mol×K	988.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-amino-4-propoxy-, 2-(diethylamino)ethyl ester.

Sources

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

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