Chemical Properties of 1-Propanol, 3-(diethylamino)-2,2-dimethyl-, p-aminobenzoate (ester) (CAS 94-15-5)

InChI

InChI=1S/C16H26N2O2/c1-5-18(6-2)11-16(3,4)12-20-15(19)13-7-9-14(17)10-8-13/h7-10H,5-6,11-12,17H2,1-4H3

InChI Key

OWQIUQKMMPDHQQ-UHFFFAOYSA-N

Formula

C16H26N2O2

SMILES

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

Molecular Weight¹

278.39

CAS

94-15-5

Other Names

• Dimethocaine
• Larocaine
• 1-Propanol, 3-(diethylamino)-2,2-dimethyl-, p-aminobenzoate
• 1-Propanol, 3-(diethylamino)-2,2-dimethyl-, 4-aminobenzoate (ester)
• 3-(Dimethylamino)-2,2-dimethyl-1-propanol 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.
• 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°	132.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-300.74	kJ/mol	Joback Calculated Property
ΔfusH°	34.44	kJ/mol	Joback Calculated Property
ΔvapH°	74.69	kJ/mol	Joback Calculated Property
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	2.794		Crippen Calculated Property
McVol	239.940	ml/mol	McGowan Calculated Property
Pc	1861.11	kPa	Joback Calculated Property
Inp	[2108.00; 2108.00]
Inp	2108.00		NIST
Inp	2108.00		NIST
Tboil	755.17	K	Joback Calculated Property
Tc	965.61	K	Joback Calculated Property
Tfus	499.33	K	Joback Calculated Property
Vc	0.883	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[712.05; 795.63]	J/mol×K	[755.17; 965.61]
Cp,gas	712.05	J/mol×K	755.17	Joback Calculated Property
Cp,gas	728.54	J/mol×K	790.24	Joback Calculated Property
Cp,gas	743.92	J/mol×K	825.32	Joback Calculated Property
Cp,gas	758.26	J/mol×K	860.39	Joback Calculated Property
Cp,gas	771.61	J/mol×K	895.47	Joback Calculated Property
Cp,gas	784.05	J/mol×K	930.54	Joback Calculated Property
Cp,gas	795.63	J/mol×K	965.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanol, 3-(diethylamino)-2,2-dimethyl-, p-aminobenzoate (ester).

Sources

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

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