Chemical Properties of 2-Butanol, 1-(dimethylamino)-2-methyl-, benzoate (CAS 644-26-8)

InChI

InChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3

InChI Key

FDMBBCOBEAVDAO-UHFFFAOYSA-N

Formula

C14H21NO2

SMILES

CCC(C)(CN(C)C)OC(=O)c1ccccc1

Molecular Weight¹

235.32

CAS

644-26-8

Other Names

• Amyleine
• Amylocaine
• Stovaine
• Stovine
• 1-[(dimethylamino)methyl]-1-methylpropyl benzoate

• 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.
• I : 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°	59.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-281.78	kJ/mol	Joback Calculated Property
ΔfusH°	24.45	kJ/mol	Joback Calculated Property
ΔvapH°	58.94	kJ/mol	Joback Calculated Property
log10WS	-2.91		Crippen Calculated Property
logPoct/wat	2.574		Crippen Calculated Property
McVol	201.780	ml/mol	McGowan Calculated Property
Pc	2127.56	kPa	Joback Calculated Property
Inp	[1570.00; 1630.00]
Inp	1582.00		NIST
Inp	1588.00		NIST
Inp	1590.00		NIST
Inp	1574.00		NIST
Inp	Outlier 1630.00		NIST
Inp	1570.00		NIST
Inp	1600.00		NIST
Inp	1590.00		NIST
I	2029.00		NIST
Tboil	631.90	K	Joback Calculated Property
Tc	840.31	K	Joback Calculated Property
Tfus	381.01	K	Joback Calculated Property
Vc	0.743	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[535.41; 623.78]	J/mol×K	[631.90; 840.31]
Cp,gas	535.41	J/mol×K	631.90	Joback Calculated Property
Cp,gas	552.79	J/mol×K	666.63	Joback Calculated Property
Cp,gas	569.04	J/mol×K	701.37	Joback Calculated Property
Cp,gas	584.20	J/mol×K	736.10	Joback Calculated Property
Cp,gas	598.34	J/mol×K	770.84	Joback Calculated Property
Cp,gas	611.52	J/mol×K	805.57	Joback Calculated Property
Cp,gas	623.78	J/mol×K	840.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanol, 1-(dimethylamino)-2-methyl-, benzoate.

Sources

• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.