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

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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
ω	0.6060		Relay (1.0) Calculated Property
ΔfH°gas	-338.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.45	kJ/mol	Joback Calculated Property
ΔvapH°	76.97	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-2.54		Relay (1.0) 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
I	2029.00		NIST
Tboil	563.76	K	Relay (1.0) Calculated Property
Tc	751.40	K	Relay (1.0) Calculated Property
Tfus	291.08	K	Relay (1.0) Calculated Property
Vc	0.733	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

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

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.