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_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.
• 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°	133.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-323.19	kJ/mol	Joback Calculated Property
ΔfusH°	37.40	kJ/mol	Joback Calculated Property
ΔvapH°	77.44	kJ/mol	Joback Calculated Property
log10WS	-3.56		Crippen Calculated Property
logPoct/wat	3.182		Crippen Calculated Property
McVol	254.030	ml/mol	McGowan Calculated Property
Pc	1711.78	kPa	Joback Calculated Property
Inp	[2240.00; 2315.00]
Inp	2240.00		NIST
Inp	2315.00		NIST
Tboil	780.40	K	Joback Calculated Property
Tc	986.46	K	Joback Calculated Property
Tfus	478.18	K	Joback Calculated Property
Vc	0.939	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[768.00; 853.04]	J/mol×K	[780.40; 986.46]
Cp,gas	768.00	J/mol×K	780.40	Joback Calculated Property
Cp,gas	784.80	J/mol×K	814.74	Joback Calculated Property
Cp,gas	800.50	J/mol×K	849.09	Joback Calculated Property
Cp,gas	815.13	J/mol×K	883.43	Joback Calculated Property
Cp,gas	828.73	J/mol×K	917.77	Joback Calculated Property
Cp,gas	841.36	J/mol×K	952.12	Joback Calculated Property
Cp,gas	853.04	J/mol×K	986.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Leucinocaine.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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