Chemical Properties of Benzenemethanamine, N-(1,1-dimethylethyl)- (CAS 3378-72-1)

InChI

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

InChI Key

DLSOILHAKCBARI-UHFFFAOYSA-N

Formula

C11H17N

SMILES

CC(C)(C)NCc1ccccc1

Molecular Weight¹

163.26

CAS

3378-72-1

Other Names

• N-Benzyl-tert-butylamine
• N-t-Butylbenzylamine
• N-tert-Butylbenzylamine
• tert-Butylbenzylamine

• 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).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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

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

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[353.20; 374.00]	K	[0.70; 2.30]
Tboilr	353.20	K	0.70	NIST
Tboilr	374.00 ± 1.00	K	2.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[385.50; 558.28]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40687e+01
Coefficient B			-4.15058e+03
Coefficient C			-8.43200e+01
Temperature range, min.			385.50
Temperature range, max.			558.28
Pvap	1.33	kPa	385.50	Calculated Property
Pvap	3.04	kPa	404.70	Calculated Property
Pvap	6.33	kPa	423.90	Calculated Property
Pvap	12.18	kPa	443.09	Calculated Property
Pvap	21.92	kPa	462.29	Calculated Property
Pvap	37.27	kPa	481.49	Calculated Property
Pvap	60.35	kPa	500.69	Calculated Property
Pvap	93.64	kPa	519.88	Calculated Property
Pvap	140.01	kPa	539.08	Calculated Property
Pvap	202.64	kPa	558.28	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanamine, N-(1,1-dimethylethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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