Chemical Properties of Benzeneethanamine (CAS 64-04-0)

InChI

InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2

InChI Key

BHHGXPLMPWCGHP-UHFFFAOYSA-N

Formula

C8H11N

SMILES

NCCc1ccccc1

Molecular Weight¹

121.18

CAS

64-04-0

Other Names

• (2-Aminoethyl)benzene
• (2-phenylethyl)amine
• .beta.-phenylethylamine
• 1-Amino-2-phenylethane
• 1-Phenyl-2-amino-athan
• 1-Phenyl-2-aminoethane
• 2-Amino-1-phenylethane
• 2-Amino-fenylethan
• 2-Fenylethylamin
• 2-Phenethylamine
• 2-phenylethanamine
• 2-phenylethylamine
• Ethylamine, 2-phenyl-
• NSC 10811
• Phenethylamine, «beta»
• Phenylethylamine
• ethanamine, 2-phenyl-
• phenethylamine
• «beta»-Aminoethylbenzene
• «beta»-Phenethylamine
• «beta»-Phenylethylamine

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.4496		Relay (1.0) Calculated Property
PAff	936.20	kJ/mol	NIST
BasG	[900.00; 902.30]	kJ/mol
BasG	902.30	kJ/mol	NIST
BasG	900.00 ± 4.00	kJ/mol	NIST
ΔfG°	195.34	kJ/mol	Joback Calculated Property
ΔfH°gas	63.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.71	kJ/mol	Joback Calculated Property
ΔvapH°	56.80 ± 0.20	kJ/mol	NIST
IE	[8.50; 8.99]	eV
IE	8.50	eV	NIST
IE	8.99 ± 0.20	eV	NIST
log10WS	-1.06		Relay (1.0) Calculated Property
logPoct/wat	1.188		Crippen Calculated Property
McVol	109.800	ml/mol	McGowan Calculated Property
Pc	3916.03	kPa	Joback Calculated Property
Inp	[1069.90; 1133.00]
Inp	1103.00		NIST
Inp	1125.00		NIST
Inp	1100.00		NIST
Inp	1120.00		NIST
Inp	Outlier 1069.90		NIST
Inp	1098.00		NIST
Inp	1115.00		NIST
Inp	1133.00		NIST
Inp	1120.00		NIST
Inp	1100.70		NIST
Inp	1115.00		NIST
Inp	1079.00		NIST
Inp	1133.00		NIST
Inp	1111.00		NIST
Inp	1103.00		NIST
Inp	1125.00		NIST
I	[1605.00; 1638.00]
I	1605.00		NIST
I	1622.00		NIST
I	1638.00		NIST
Tboil	470.70	K	NIST
Tc	699.16	K	Relay (1.0) Calculated Property
Tfus	296.97	K	Relay (1.0) Calculated Property
Vc	0.378	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	239.24	J/mol×K	298.15	NIST
ΔvapH	55.70 ± 0.20	kJ/mol	314.00	NIST
Pvap	[5.57e-03; 1.33]	kPa	[273.26; 351.79]
Pvap	5.57e-03	kPa	273.26	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	0.01	kPa	283.18	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	0.02	kPa	285.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.02	kPa	287.40	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.02	kPa	288.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.02	kPa	288.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.02	kPa	290.10	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.03	kPa	293.10	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.03	kPa	293.12	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	0.03	kPa	293.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.04	kPa	298.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.05	kPa	298.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.04	kPa	298.30	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.05	kPa	300.10	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.06	kPa	302.00	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.07	kPa	303.06	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	0.07	kPa	303.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.06	kPa	303.30	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.06	kPa	303.30	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.07	kPa	304.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.07	kPa	305.10	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.08	kPa	305.10	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.08	kPa	306.40	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.09	kPa	308.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.09	kPa	308.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.11	kPa	310.40	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.12	kPa	311.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.13	kPa	313.07	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	0.13	kPa	313.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.13	kPa	313.40	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.14	kPa	314.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.18	kPa	317.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.19	kPa	318.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.19	kPa	318.40	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.22	kPa	320.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.26	kPa	323.06	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	0.27	kPa	323.20	The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
Pvap	0.48	kPa	333.11	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	0.84	kPa	343.08	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
Pvap	1.33	kPa	351.79	Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.31; 349.50]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.17980e+01
Coefficient B			7.46800e-01
Coefficient C			-4.86000e-04
Coefficient D			1.20500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.31	J/mol×K	273.00	Calculated Property
Cp,gas	176.91	J/mol×K	353.78	Calculated Property
Cp,gas	210.84	J/mol×K	434.56	Calculated Property
Cp,gas	240.48	J/mol×K	515.33	Calculated Property
Cp,gas	266.20	J/mol×K	596.11	Calculated Property
Cp,gas	288.40	J/mol×K	676.89	Calculated Property
Cp,gas	307.45	J/mol×K	757.67	Calculated Property
Cp,gas	323.72	J/mol×K	838.44	Calculated Property
Cp,gas	337.62	J/mol×K	919.22	Calculated Property
Cp,gas	349.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[350.02; 500.47]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.45957e+01
Coefficient B			-3.97808e+03
Coefficient C			-7.19910e+01
Temperature range, min.			350.02
Temperature range, max.			500.47
Pvap	1.33	kPa	350.02	Calculated Property
Pvap	3.00	kPa	366.74	Calculated Property
Pvap	6.19	kPa	383.45	Calculated Property
Pvap	11.87	kPa	400.17	Calculated Property
Pvap	21.36	kPa	416.89	Calculated Property
Pvap	36.41	kPa	433.60	Calculated Property
Pvap	59.20	kPa	450.32	Calculated Property
Pvap	92.37	kPa	467.04	Calculated Property
Pvap	139.02	kPa	483.75	Calculated Property
Pvap	202.66	kPa	500.47	Calculated Property

Similar Compounds

Find more compounds similar to Benzeneethanamine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• The Vaporization Enthalpy and Vapor Pressure of (d)-Amphetamine and of Several Primary Amines Used as Standards at T/K = 298 As Evaluated by Correlation Gas Chromatography and Transpiration
• Experimental Vapor Pressures of 2-Phenylethylamine, Benzylamine, Triethylamine, and cis-2,6-Dimethylpiperidine in the Range between 0.2 Pa and 75 kPa
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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