Chemical Properties of Parbenate (CAS 10287-53-3)

InChI

InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3

InChI Key

FZUGPQWGEGAKET-UHFFFAOYSA-N

Formula

C11H15NO2

SMILES

CCOC(=O)c1ccc(N(C)C)cc1

Molecular Weight¹

193.24

CAS

10287-53-3

Other Names

• Benzoic acid, 4-(dimethylamino)-, ethyl ester
• Benzoic acid, p-(dimethylamino)-, ethyl ester
• Ethyl p-dimethylaminobenzoate
• Ethyl 4-(dimethylamino)benzoate
• N,N-Dimethylbenzocaine
• Ethyl-4-(N,N-dimethylamino)benzoate
• Quantacure EPD
• p-Dimethylaminobenzoic acid ethyl ester
• Speedcure EDB
• Kayacure EPA
• Quantacure EPD (Ethyl 4-dimethylamino benzoate)

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	0.6082		Relay (1.0) Calculated Property
ΔfH°gas	-304.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.29	kJ/mol	Joback Calculated Property
ΔvapH°	76.76	kJ/mol	Relay (1.0) Calculated Property
IE	7.36	eV	Relay (1.0) Calculated Property
log10WS	-3.01		Relay (1.0) Calculated Property
logPoct/wat	1.929		Crippen Calculated Property
McVol	159.510	ml/mol	McGowan Calculated Property
Pc	2616.41	kPa	Joback Calculated Property
Inp	[1711.00; 1711.00]
Inp	1711.00		NIST
Inp	1711.00		NIST
Tboil	559.86	K	Relay (1.0) Calculated Property
Tc	746.53	K	Relay (1.0) Calculated Property
Tfus	346.68	K	Relay (1.0) Calculated Property
Vc	0.593	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.97; 511.40]	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			-1.19990e+01
Coefficient B			9.79560e-01
Coefficient C			-5.56760e-04
Coefficient D			1.00600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.97	J/mol×K	273.00	Calculated Property
Cp,gas	269.32	J/mol×K	353.78	Calculated Property
Cp,gas	316.79	J/mol×K	434.56	Calculated Property
Cp,gas	358.71	J/mol×K	515.33	Calculated Property
Cp,gas	395.39	J/mol×K	596.11	Calculated Property
Cp,gas	427.16	J/mol×K	676.89	Calculated Property
Cp,gas	454.32	J/mol×K	757.67	Calculated Property
Cp,gas	477.21	J/mol×K	838.44	Calculated Property
Cp,gas	496.13	J/mol×K	919.22	Calculated Property
Cp,gas	511.40	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Parbenate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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