Chemical Properties of Benzeneethanamine, N-methyl- (CAS 589-08-2)

InChI

InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3

InChI Key

SASNBVQSOZSTPD-UHFFFAOYSA-N

Formula

C9H13N

SMILES

CNCCc1ccccc1

Molecular Weight¹

135.21

CAS

589-08-2

Other Names

• (2-Phenylethyl)methylamine
• 1-Phenyl-2-methylamino-aethan
• 1-Phenyl-2-methylaminoethane
• N-(Phenylethyl)methylamine
• N-Methyl-2-phenylethylamine
• N-Methyl-N-(2-phenylethyl)amine
• N-Methyl-«beta»-phenethylamine
• N-Methyl-«beta»-phenylaethylamin
• N-Methyl-«beta»-phenylethylamine
• N-Methyl-«beta»-phenethylamine
• N-Methyl-«beta»-phenylaethylamin
• N-Methyl-«beta»-phenylethylamine
• N-Methylbenzeneethanamine
• N-Methylphenethylamine
• N-Methylphenylethylamine
• N-Phenethylmethylamine
• NSC 113957
• Phenethylamine, N-methyl-
• WIN 5553
• «alpha»-Phenyl-«beta»-methylaminoethane
• «alpha»-Phenyl-«beta»-methylaminoethane

• ω : Acentric Factor.
• 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).
• 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	0.4256		Relay (1.0) Calculated Property
ΔfG°	226.70	kJ/mol	Joback Calculated Property
ΔfH°gas	95.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.21	kJ/mol	Joback Calculated Property
ΔvapH°	58.76	kJ/mol	Relay (1.0) Calculated Property
IE	[8.40; 8.66]	eV
IE	8.40	eV	NIST
IE	8.66 ± 0.20	eV	NIST
log10WS	-0.41		Relay (1.0) Calculated Property
logPoct/wat	1.448		Crippen Calculated Property
McVol	123.890	ml/mol	McGowan Calculated Property
Pc	3310.55	kPa	Joback Calculated Property
Inp	1154.00		NIST
I	[1571.00; 1571.00]
I	1571.00		NIST
I	1571.00		NIST
Tboil	476.20	K	NIST
Tc	685.21	K	Relay (1.0) Calculated Property
Tfus	281.72	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; 202.66]	kPa	[357.57; 505.08]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49571e+01
Coefficient B			-4.15460e+03
Coefficient C			-7.43540e+01
Temperature range, min.			357.57
Temperature range, max.			505.08
Pvap	1.33	kPa	357.57	Calculated Property
Pvap	2.97	kPa	373.96	Calculated Property
Pvap	6.11	kPa	390.35	Calculated Property
Pvap	11.68	kPa	406.74	Calculated Property
Pvap	21.01	kPa	423.13	Calculated Property
Pvap	35.87	kPa	439.52	Calculated Property
Pvap	58.47	kPa	455.91	Calculated Property
Pvap	91.56	kPa	472.30	Calculated Property
Pvap	138.38	kPa	488.69	Calculated Property
Pvap	202.66	kPa	505.08	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanamine, N-methyl-.

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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