Chemical Properties of Acetylprocaine

InChI

InChI=1S/C15H22N2O3/c1-4-17(5-2)10-11-20-15(19)13-6-8-14(9-7-13)16-12(3)18/h6-9H,4-5,10-11H2,1-3H3,(H,16,18)

InChI Key

YMABTXMPJQRLCQ-UHFFFAOYSA-N

Formula

C15H22N2O3

SMILES

CCN(CC)CCOC(=O)c1ccc(NC(C)=O)cc1

Molecular Weight¹

278.35

Other Names

• 2-diethylaminoethyl 4-acetamidobenzoate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.35	kJ/mol	Joback Calculated Property
IE	7.90	eV	Relay (1.0) Calculated Property
log10WS	-1.65		Aq. Solubility Prediction
logPoct/wat	2.144		Crippen Calculated Property
McVol	227.420	ml/mol	McGowan Calculated Property
Pc	1952.68	kPa	Joback Calculated Property
Inp	[2340.00; 2340.00]
Inp	2340.00		NIST
Inp	2340.00		NIST
Inp	2340.00		NIST
Inp	2340.00		NIST
Tboil	622.66	K	Relay (1.0) Calculated Property
Tfus	355.12	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.94; 743.67]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.48600e+00
Coefficient B			1.40776e+00
Coefficient C			-8.04260e-04
Coefficient D			1.49660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.94	J/mol×K	273.00	Calculated Property
Cp,gas	394.51	J/mol×K	353.78	Calculated Property
Cp,gas	462.67	J/mol×K	434.56	Calculated Property
Cp,gas	522.88	J/mol×K	515.33	Calculated Property
Cp,gas	575.60	J/mol×K	596.11	Calculated Property
Cp,gas	621.33	J/mol×K	676.89	Calculated Property
Cp,gas	660.53	J/mol×K	757.67	Calculated Property
Cp,gas	693.67	J/mol×K	838.44	Calculated Property
Cp,gas	721.23	J/mol×K	919.22	Calculated Property
Cp,gas	743.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetylprocaine.

Sources

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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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