Chemical Properties of Procaine (CAS 59-46-1)

InChI

InChI=1S/C13H20N2O2/c1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3

InChI Key

MFDFERRIHVXMIY-UHFFFAOYSA-N

Formula

C13H20N2O2

SMILES

CCN(CC)CCOC(=O)c1ccc(N)cc1

Molecular Weight¹

236.31

CAS

59-46-1

Other Names

• .beta.-(diethylamino)ethyl p-aminobenzoate
• .beta.-diethylaminoethyl 4-aminobenzoate
• 2-(Diethylamino)ethyl 4-aminobenzoate
• 2-(Diethylamino)ethyl p-aminobenzoate
• 2-Diethylaminoethyl 4-aminobenzoate
• 2-Diethylaminoethylester kyseliny p-aminobenzoove
• 4-Aminobenzoic acid diethylaminoethyl ester
• Benzoic acid, 4-amino-, 2-(diethylamino)ethyl ester
• Benzoic acid, p-amino-, 2-(diethylamino)ethyl ester
• Diethylaminoethyl p-aminobenzoate
• Duracaine
• NSC 169497
• Nissocaine
• Procain
• Spinocaine
• Vitamin H3
• benzoic acid, p-amino-, 2-(diethylamino) ethyl ester
• p-Aminobenzoic acid, 2-(diethylamino)ethyl ester
• p-Aminobenzoyldiethylaminoethanol
• p-aminobenzoic acid 2-diethylaminoethyl ester
• procaine base
• «beta»-(Diethylamino)ethyl 4-aminobenzoate
• «beta»-(Diethylamino)ethyl p-aminobenzoate
• «beta»-(Diethylamino)ethyl 4-aminobenzoate
• «beta»-(Diethylamino)ethyl p-aminobenzoate

• 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.
• 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
ΔfG°	104.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-230.07	kJ/mol	Joback Calculated Property
ΔfusH°	34.08	kJ/mol	Joback Calculated Property
ΔvapH°	69.31	kJ/mol	Joback Calculated Property
log10WS	-1.50		Aq. Sol...
logPoct/wat	1.767		Crippen Calculated Property
McVol	197.670	ml/mol	McGowan Calculated Property
Pc	2381.86	kPa	Joback Calculated Property
Inp	[1978.00; 2058.00]
Inp	2014.00		NIST
Inp	2031.00		NIST
Inp	2046.00		NIST
Inp	Outlier 2049.00		NIST
Inp	2029.00		NIST
Inp	2035.00		NIST
Inp	1998.00		NIST
Inp	2005.00		NIST
Inp	2007.00		NIST
Inp	2000.00		NIST
Inp	1995.00		NIST
Inp	2013.00		NIST
Inp	1984.00		NIST
Inp	1990.00		NIST
Inp	Outlier 2058.00		NIST
Inp	1978.00		NIST
Inp	2000.00		NIST
Inp	1991.00		NIST
Inp	1995.00		NIST
Inp	2000.00		NIST
Inp	2004.00		NIST
Inp	2027.00		NIST
Inp	2018.00		NIST
Inp	2010.00		NIST
Inp	1978.00		NIST
Inp	1990.00		NIST
Inp	2025.00		NIST
Inp	1979.00		NIST
Inp	2017.00		NIST
Inp	1991.00		NIST
Inp	1995.00		NIST
Inp	2018.00		NIST
Inp	2010.00		NIST
Inp	2018.00		NIST
Inp	2014.00		NIST
Inp	2035.00		NIST
Inp	2000.00		NIST
Inp	2007.00		NIST
Inp	2018.00		NIST
Inp	1995.00		NIST
I	[3250.00; 3250.00]
I	3250.00		NIST
I	3250.00		NIST
Tboil	689.76	K	Joback Calculated Property
Tc	898.32	K	Joback Calculated Property
Tfus	463.10	K	Joback Calculated Property
Vc	0.727	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[546.04; 623.13]	J/mol×K	[689.76; 898.32]
Cp,gas	546.04	J/mol×K	689.76	Joback Calculated Property
Cp,gas	561.16	J/mol×K	724.52	Joback Calculated Property
Cp,gas	575.33	J/mol×K	759.28	Joback Calculated Property
Cp,gas	588.58	J/mol×K	794.04	Joback Calculated Property
Cp,gas	600.94	J/mol×K	828.80	Joback Calculated Property
Cp,gas	612.45	J/mol×K	863.56	Joback Calculated Property
Cp,gas	623.13	J/mol×K	898.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Procaine.

Mixtures

• Carbon dioxide + Procaine
• Procaine + Water
• Ethanol + Procaine
• Ethanol + Procaine + Water

Sources

• Crippen Method
• The Solubility of Benzocaine, Lidocaine, and Procaine in Liquid and Supercritical Carbon Dioxide
• Thermodynamic Study of the Solubility of Procaine HCl in Some Ethanol + Water Cosolvent Mixtures
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.