Chemical Properties of Butanilicaine (CAS 3785-21-5)

InChI

InChI=1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)

InChI Key

VWYQKFLLGRBICZ-UHFFFAOYSA-N

Formula

C13H19ClN2O

SMILES

CCCCNCC(=O)Nc1c(C)cccc1Cl

Molecular Weight¹

254.76

CAS

3785-21-5

Other Names

• 2-(Butylamino)-6'-chloro-o-acetoluidide
• Butacetoluide
• 2-(Butylamino)-6'-chloro-o-acetotoluidide

• ω : Acentric Factor.
• 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).
• 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	0.7053		Relay (1.0) Calculated Property
ΔfG°	189.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-209.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.68	kJ/mol	Joback Calculated Property
ΔvapH°	88.18	kJ/mol	Relay (1.0) Calculated Property
IE	7.74	eV	Relay (1.0) Calculated Property
log10WS	-2.81		Relay (1.0) Calculated Property
logPoct/wat	2.977		Crippen Calculated Property
McVol	204.040	ml/mol	McGowan Calculated Property
Pc	2239.76	kPa	Joback Calculated Property
Inp	[2008.00; 2025.00]
Inp	2008.00		NIST
Inp	2013.00		NIST
Inp	2025.00		NIST
Inp	2008.00		NIST
Inp	2025.00		NIST
Tboil	597.86	K	Relay (1.0) Calculated Property
Tc	839.53	K	Relay (1.0) Calculated Property
Tfus	359.29	K	Relay (1.0) Calculated Property
Vc	0.715	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[549.74; 620.22]	J/mol×K	[725.12; 935.26]
Cp,gas	549.74	J/mol×K	725.12	Joback Calculated Property
Cp,gas	563.57	J/mol×K	760.14	Joback Calculated Property
Cp,gas	576.52	J/mol×K	795.17	Joback Calculated Property
Cp,gas	588.62	J/mol×K	830.19	Joback Calculated Property
Cp,gas	599.92	J/mol×K	865.21	Joback Calculated Property
Cp,gas	610.44	J/mol×K	900.24	Joback Calculated Property
Cp,gas	620.22	J/mol×K	935.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butanilicaine.

Sources

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

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