Chemical Properties of «beta»-Eucaine (CAS 500-34-5)

InChI

InChI=1S/C15H21NO2/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3

InChI Key

ZYHGIAPHLSTGMX-UHFFFAOYSA-N

Formula

C15H21NO2

SMILES

CC1CC(OC(=O)c2ccccc2)CC(C)(C)N1

Molecular Weight¹

247.33

CAS

500-34-5

Other Names

• Betacain
• Eucain B
• Eucaine
• Eucaine B
• 4-Piperidinol, 2,2,6-trimethyl-, benzoate (ester)
• 4-Piperidinol, 2,2,6-trimethyl-, benzoate (ester), stereoisomer
• 4-Piperidinol, 2,2,6-trimethyl-, benzoate
• Eukain B
• 2,2,6-Trimethyl-4-piperidinol benzoate (ester)
• Betacaine
• NSC 49860
• 4-Piperidinol, 2,2,6-trimethyl-, 4-benzoate
• Benzamine

• 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	0.5743		Relay (1.0) Calculated Property
ΔfG°	45.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-362.63	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.70	kJ/mol	Joback Calculated Property
ΔvapH°	84.89	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-2.41		Relay (1.0) Calculated Property
logPoct/wat	2.763		Crippen Calculated Property
McVol	205.010	ml/mol	McGowan Calculated Property
Pc	2329.27	kPa	Joback Calculated Property
Inp	[1816.00; 1820.00]
Inp	1820.00		NIST
Inp	1816.00		NIST
Tboil	575.66	K	Relay (1.0) Calculated Property
Tc	815.25	K	Relay (1.0) Calculated Property
Tfus	324.66	K	Relay (1.0) Calculated Property
Vc	0.732	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[590.78; 698.52]	J/mol×K	[704.57; 946.09]
Cp,gas	590.78	J/mol×K	704.57	Joback Calculated Property
Cp,gas	611.20	J/mol×K	744.82	Joback Calculated Property
Cp,gas	630.45	J/mol×K	785.08	Joback Calculated Property
Cp,gas	648.67	J/mol×K	825.33	Joback Calculated Property
Cp,gas	666.00	J/mol×K	865.59	Joback Calculated Property
Cp,gas	682.57	J/mol×K	905.84	Joback Calculated Property
Cp,gas	698.52	J/mol×K	946.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Eucaine.

Sources

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

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