Chemical Properties of Leucinocaine (CAS 92-23-9)

InChI

InChI=1S/C17H28N2O2/c1-5-19(6-2)16(11-13(3)4)12-21-17(20)14-7-9-15(18)10-8-14/h7-10,13,16H,5-6,11-12,18H2,1-4H3

InChI Key

MLHBDHJHNDJBLI-UHFFFAOYSA-N

Formula

C17H28N2O2

SMILES

CCN(CC)C(COC(=O)c1ccc(N)cc1)CC(C)C

Molecular Weight¹

292.42

CAS

92-23-9

Other Names

• 1-Pentanol, 2-(diethylamino)-4-methyl-, p-aminobenzoate
• 2-(Diethylamino)-4-methyl-1-pentanol p-aminobenzoate
• S.F. 147
• 2-(Diethylamino)-4-methyl-1-pentanol p-aminobenzoate (ester)

• 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).
• 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°	38.98	kJ/mol	Joback Calculated Property
IE	7.45	eV	Relay (1.0) Calculated Property
log10WS	-3.07		Relay (1.0) Calculated Property
logPoct/wat	3.182		Crippen Calculated Property
McVol	254.030	ml/mol	McGowan Calculated Property
Inp	[2240.00; 2315.00]
Inp	2240.00		NIST
Inp	2315.00		NIST
Tboil	648.54	K	Relay (1.0) Calculated Property
Tfus	316.05	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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	[363.00; 857.99]	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			-1.43260e+01
Coefficient B			1.62328e+00
Coefficient C			-9.32960e-04
Coefficient D			1.82000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	363.00	J/mol×K	273.00	Calculated Property
Cp,gas	451.24	J/mol×K	353.78	Calculated Property
Cp,gas	529.84	J/mol×K	434.56	Calculated Property
Cp,gas	599.35	J/mol×K	515.33	Calculated Property
Cp,gas	660.36	J/mol×K	596.11	Calculated Property
Cp,gas	713.44	J/mol×K	676.89	Calculated Property
Cp,gas	759.17	J/mol×K	757.67	Calculated Property
Cp,gas	798.12	J/mol×K	838.44	Calculated Property
Cp,gas	830.87	J/mol×K	919.22	Calculated Property
Cp,gas	857.99	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Leucinocaine.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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