Chemical Properties of Benzenepropanamine (CAS 2038-57-5)

InChI

InChI=1S/C9H13N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8,10H2

InChI Key

LYUQWQRTDLVQGA-UHFFFAOYSA-N

Formula

C9H13N

SMILES

NCCCc1ccccc1

Molecular Weight¹

135.21

CAS

2038-57-5

Other Names

• 1-Amino-3-phenylpropane
• 3-Phenyl-1-aminopropane
• 3-Phenyl-1-propanamine
• 3-Phenyl-1-propylamine
• 3-Phenyl-n-propylamine
• 3-Phenylpropanamine
• 3-Phenylpropylamine
• Hydrocinnamylamine
• NSC 87080
• Propylamine, 3-phenyl-
• «gamma»-Phenyl-n-propylamine
• «gamma»-Phenylpropylamine
• «gamma»-Phenyl-n-propylamine
• «gamma»-Phenylpropylamine

• 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).
• 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.
• 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
BasG	920.00 ± 8.00	kJ/mol	NIST
ΔfG°	203.76	kJ/mol	Joback Calculated Property
ΔfH°gas	41.23	kJ/mol	Joback Calculated Property
ΔfusH°	18.30	kJ/mol	Joback Calculated Property
ΔvapH°	48.55	kJ/mol	Joback Calculated Property
IE	8.89 ± 0.12	eV	NIST
log10WS	-2.13		Crippen Calculated Property
logPoct/wat	1.578		Crippen Calculated Property
McVol	123.890	ml/mol	McGowan Calculated Property
Pc	3484.76	kPa	Joback Calculated Property
Inp	[1205.00; 1205.00]
Inp	1205.00		NIST
Inp	1205.00		NIST
Tboil	494.20	K	NIST
Tc	723.91	K	Joback Calculated Property
Tfus	300.87	K	Joback Calculated Property
Vc	0.461	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.45; 343.71]	J/mol×K	[504.53; 723.91]
Cp,gas	271.45	J/mol×K	504.53	Joback Calculated Property
Cp,gas	285.54	J/mol×K	541.09	Joback Calculated Property
Cp,gas	298.76	J/mol×K	577.66	Joback Calculated Property
Cp,gas	311.15	J/mol×K	614.22	Joback Calculated Property
Cp,gas	322.74	J/mol×K	650.78	Joback Calculated Property
Cp,gas	333.59	J/mol×K	687.35	Joback Calculated Property
Cp,gas	343.71	J/mol×K	723.91	Joback Calculated Property
Cp,liquid	265.59	J/mol×K	298.15	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[368.81; 525.07]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46446e+01
Coefficient B			-4.16770e+03
Coefficient C			-7.85240e+01
Temperature range, min.			368.81
Temperature range, max.			525.07
Pvap	1.33	kPa	368.81	Calculated Property
Pvap	3.00	kPa	386.17	Calculated Property
Pvap	6.18	kPa	403.53	Calculated Property
Pvap	11.84	kPa	420.90	Calculated Property
Pvap	21.31	kPa	438.26	Calculated Property
Pvap	36.33	kPa	455.62	Calculated Property
Pvap	59.09	kPa	472.98	Calculated Property
Pvap	92.25	kPa	490.35	Calculated Property
Pvap	138.92	kPa	507.71	Calculated Property
Pvap	202.64	kPa	525.07	Calculated Property

Similar Compounds

Find more compounds similar to Benzenepropanamine.

Sources

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

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