Chemical Properties of Benzenemethanamine, N-ethyl- (CAS 14321-27-8)

InChI

InChI=1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3

InChI Key

HVAAHUDGWQAAOJ-UHFFFAOYSA-N

Formula

C9H13N

SMILES

CCNCc1ccccc1

Molecular Weight¹

135.21

CAS

14321-27-8

Other Names

• Benzylamine, N-ethyl-
• Benzylethylamine
• Ethylbenzylamine
• N-Benzyl-N-ethylamine
• N-Benzylethylamine
• N-Ethylbenzylamine

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• P_vap : Vapor 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	0.3923		Relay (1.0) Calculated Property
ΔcH°liquid	-5391.50	kJ/mol	NIST
ΔfG°	226.70	kJ/mol	Joback Calculated Property
ΔfH°gas	63.30	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-36.00	kJ/mol	NIST
ΔfusH°	18.21	kJ/mol	Joback Calculated Property
ΔvapH°	54.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-0.71		Relay (1.0) Calculated Property
logPoct/wat	1.796		Crippen Calculated Property
McVol	123.890	ml/mol	McGowan Calculated Property
Pc	3310.55	kPa	Joback Calculated Property
Inp	[1103.50; 1120.00]
Inp	1103.50		NIST
Inp	1120.00		NIST
Inp	1120.00		NIST
I	[1543.00; 1577.00]
I	1543.00		NIST
I	1577.00		NIST
Tboil	465.70	K	NIST
Tc	664.29	K	Relay (1.0) Calculated Property
Tfus	222.89	K	Relay (1.0) Calculated Property
Vc	0.448	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[260.33; 334.34]	J/mol×K	[482.17; 691.55]
Cp,gas	260.33	J/mol×K	482.17	Joback Calculated Property
Cp,gas	274.63	J/mol×K	517.07	Joback Calculated Property
Cp,gas	288.10	J/mol×K	551.96	Joback Calculated Property
Cp,gas	300.77	J/mol×K	586.86	Joback Calculated Property
Cp,gas	312.68	J/mol×K	621.76	Joback Calculated Property
Cp,gas	323.85	J/mol×K	656.66	Joback Calculated Property
Cp,gas	334.34	J/mol×K	691.55	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[347.77; 494.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47811e+01
Coefficient B			-4.01105e+03
Coefficient C			-7.10180e+01
Temperature range, min.			347.77
Temperature range, max.			494.59
Pvap	1.33	kPa	347.77	Calculated Property
Pvap	2.99	kPa	364.08	Calculated Property
Pvap	6.15	kPa	380.40	Calculated Property
Pvap	11.77	kPa	396.71	Calculated Property
Pvap	21.18	kPa	413.02	Calculated Property
Pvap	36.12	kPa	429.34	Calculated Property
Pvap	58.82	kPa	445.65	Calculated Property
Pvap	91.94	kPa	461.96	Calculated Property
Pvap	138.68	kPa	478.28	Calculated Property
Pvap	202.65	kPa	494.59	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanamine, N-ethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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