Chemical Properties of Benzeneethanamine, N,«alpha»,«alpha»-trimethyl- (CAS 100-92-5)

InChI

InChI=1S/C11H17N/c1-11(2,12-3)9-10-7-5-4-6-8-10/h4-8,12H,9H2,1-3H3

InChI Key

RXQCGGRTAILOIN-UHFFFAOYSA-N

Formula

C11H17N

SMILES

CNC(C)(C)Cc1ccccc1

Molecular Weight¹

163.26

CAS

100-92-5

Other Names

• Phenethylamine, N,«alpha»,«alpha»-trimethyl-
• «omega»-Phenyl-tert-butyl-methylamine
• Mephine
• N,«alpha»,«alpha»-Trimethyl-«beta»-phenethylamine
• N,«alpha»,«alpha»-Trimethylphenethylamine
• Vialin
• Wyamine
• Mefenterdrin
• Mefentermin
• Mephenterdrine
• Mephenterdrinum
• Mephetedrine
• 2-Methylamino-2-methyl-1-phenylpropane
• 2-Methyl-2-methylamino-1-phenylpropane
• N-Methyl-«omega»-phenyl-t-butylamine
• N,«alpha»,«alpha»-Trimethylbenzeneethanamine
• WY-585
• Wyfentermina
• N-Methyl-«omega»-phenyl-tert-butylamine
• N-Methylphentermine
• Mephentermine

• 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°	246.38	kJ/mol	Joback Calculated Property
ΔfH°gas	10.88	kJ/mol	Joback Calculated Property
ΔfusH°	15.97	kJ/mol	Joback Calculated Property
ΔvapH°	47.50	kJ/mol	Joback Calculated Property
log10WS	-2.83		Crippen Calculated Property
logPoct/wat	2.227		Crippen Calculated Property
McVol	152.070	ml/mol	McGowan Calculated Property
Pc	2738.28	kPa	Joback Calculated Property
Inp	[1233.00; 1295.00]
Inp	1247.00		NIST
Inp	1249.00		NIST
Inp	1233.00		NIST
Inp	1250.00		NIST
Inp	1275.00		NIST
Inp	1275.00		NIST
Inp	1240.00		NIST
Inp	1240.00		NIST
Inp	1243.00		NIST
Inp	1243.00		NIST
Inp	1236.00		NIST
Inp	1260.00		NIST
Inp	1244.00		NIST
Inp	1269.00		NIST
Inp	1272.00		NIST
Inp	1275.00		NIST
Inp	1275.00		NIST
Inp	1277.00		NIST
Inp	1279.00		NIST
Inp	1236.00		NIST
Inp	1243.00		NIST
Inp	1240.00		NIST
Inp	1245.00		NIST
Inp	1244.00		NIST
Inp	1240.00		NIST
Inp	1239.00		NIST
Inp	Outlier 1295.00		NIST
Inp	1274.00		NIST
Inp	1240.00		NIST
Inp	1236.00		NIST
Inp	1244.00		NIST
I	[1602.00; 1685.00]
I	1611.00		NIST
I	1611.00		NIST
I	1602.00		NIST
I	1666.00		NIST
I	1677.00		NIST
I	1685.00		NIST
I	1602.00		NIST
I	1611.00		NIST
Tboil	524.70	K	Joback Calculated Property
Tc	741.06	K	Joback Calculated Property
Tfus	295.23	K	Joback Calculated Property
Vc	0.568	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[353.65; 440.70]	J/mol×K	[524.70; 741.06]
Cp,gas	353.65	J/mol×K	524.70	Joback Calculated Property
Cp,gas	370.82	J/mol×K	560.76	Joback Calculated Property
Cp,gas	386.85	J/mol×K	596.82	Joback Calculated Property
Cp,gas	401.78	J/mol×K	632.88	Joback Calculated Property
Cp,gas	415.69	J/mol×K	668.94	Joback Calculated Property
Cp,gas	428.64	J/mol×K	705.00	Joback Calculated Property
Cp,gas	440.70	J/mol×K	741.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanamine, N,«alpha»,«alpha»-trimethyl-.

Sources

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

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