Chemical Properties of Benzenemethanol, «alpha»-[1-(ethylmethylamino)ethyl]-, [R-(R*,S*)]- (CAS 48141-64-6)

InChI

InChI=1S/C12H19NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3/t10-,12-/m0/s1

InChI Key

IRVLBORJKFZWMI-JQWIXIFHSA-N

Formula

C12H19NO

SMILES

CCN(C)C(C)C(O)c1ccccc1

Molecular Weight¹

193.29

CAS

48141-64-6

Other Names

• Etafedrine
• Benzenemethanol, «alpha»-[(1S)-1-(ethylmethylamino)ethyl]-, («alpha»R)-
• Etaphedrine
• (-)-Etafedrine
• [R-(R*,S*)]-«alpha»-[1-(ethylmethylamino)ethyl]benzyl alcohol

• 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°	131.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-149.74	kJ/mol	Joback Calculated Property
ΔfusH°	20.94	kJ/mol	Joback Calculated Property
ΔvapH°	62.53	kJ/mol	Joback Calculated Property
log10WS	-2.35		Crippen Calculated Property
logPoct/wat	2.060		Crippen Calculated Property
McVol	172.030	ml/mol	McGowan Calculated Property
Pc	2676.31	kPa	Joback Calculated Property
Inp	[1460.00; 1519.00]
Inp	1476.00		NIST
Inp	1460.00		NIST
Inp	1519.00		NIST
Inp	1460.00		NIST
I	[2093.00; 2093.00]
I	2093.00		NIST
I	2093.00		NIST
Tboil	604.38	K	Joback Calculated Property
Tc	797.18	K	Joback Calculated Property
Tfus	314.71	K	Joback Calculated Property
Vc	0.625	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[444.67; 522.05]	J/mol×K	[604.38; 797.18]
Cp,gas	444.67	J/mol×K	604.38	Joback Calculated Property
Cp,gas	459.61	J/mol×K	636.51	Joback Calculated Property
Cp,gas	473.68	J/mol×K	668.65	Joback Calculated Property
Cp,gas	486.91	J/mol×K	700.78	Joback Calculated Property
Cp,gas	499.36	J/mol×K	732.91	Joback Calculated Property
Cp,gas	511.06	J/mol×K	765.05	Joback Calculated Property
Cp,gas	522.05	J/mol×K	797.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, «alpha»-[1-(ethylmethylamino)ethyl]-, [R-(R*,S*)]-.

Sources

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

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