Chemical Properties of Butacaine (CAS 149-16-6)

InChI

InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3

InChI Key

HQFWVSGBVLEQGA-UHFFFAOYSA-N

Formula

C18H30N2O2

SMILES

CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1

Molecular Weight¹

306.44

CAS

149-16-6

Other Names

• 1-Propanol, 3-(dibutylamino)-, 4-aminobenzoate (ester)
• 1-Propanol, 3-(dibutylamino)-, p-aminobenzoate (ester)
• p-Aminobenzoyldibutylaminopropanol
• Butelline
• Butyn
• 3-(Dibutylamino)-1-propanol p-aminobenzoate
• 3-Dibutylaminopropyl p-aminobenzoate
• 1-Propanol, 3-(dibutylamino)-, 4-aminobenzoate
• 1-Propanol, 3-(dibutylamino)-, p-aminobenzoate
• 3-(p-Aminobenzoxy)-1-di-n-butylaminopropane
• (3-di-N-Butylaminopropyl)-p-aminobenzoate
• (3'-Di-n-butylaminopropyl)-p-aminobenzoate

• 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.
• I : 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	0.9509		Relay (1.0) Calculated Property
ΔfG°	146.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-448.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.03	kJ/mol	Joback Calculated Property
ΔvapH°	103.54	kJ/mol	Relay (1.0) Calculated Property
IE	7.09	eV	Relay (1.0) Calculated Property
log10WS	-3.73		Relay (1.0) Calculated Property
logPoct/wat	3.718		Crippen Calculated Property
McVol	268.120	ml/mol	McGowan Calculated Property
Pc	1563.52	kPa	Joback Calculated Property
Inp	[2422.00; 2471.00]
Inp	2445.00		NIST
Inp	2471.00		NIST
Inp	2436.00		NIST
Inp	2436.00		NIST
Inp	2422.00		NIST
Inp	2450.00		NIST
Inp	2457.00		NIST
Inp	2457.00		NIST
Inp	2436.00		NIST
I	3646.00		NIST
Tboil	660.70	K	Relay (1.0) Calculated Property
Tc	841.74	K	Relay (1.0) Calculated Property
Tfus	313.23	K	Relay (1.0) Calculated Property
Vc	0.966	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[824.74; 909.38]	J/mol×K	[804.16; 1004.29]
Cp,gas	824.74	J/mol×K	804.16	Joback Calculated Property
Cp,gas	841.34	J/mol×K	837.51	Joback Calculated Property
Cp,gas	856.89	J/mol×K	870.87	Joback Calculated Property
Cp,gas	871.42	J/mol×K	904.22	Joback Calculated Property
Cp,gas	884.99	J/mol×K	937.58	Joback Calculated Property
Cp,gas	897.63	J/mol×K	970.93	Joback Calculated Property
Cp,gas	909.38	J/mol×K	1004.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butacaine.

Sources

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

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