Chemical Properties of 1,2-Diphenylethylamine (CAS 25611-78-3)

InChI

InChI=1S/C14H15N/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11,15H2

InChI Key

DTGGNTMERRTPLR-UHFFFAOYSA-N

Formula

C14H15N

SMILES

NC(Cc1ccccc1)c1ccccc1

Molecular Weight¹

197.28

CAS

25611-78-3

Other Names

• 1-Amino-1,2-diphenylethane
• Benzeneethanamine, «alpha»-phenyl-
• Phenethylamine, «alpha»-phenyl-
• «alpha»-Benzylbenzylamine
• «alpha»-Phenylphenethylamine

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.4908		Relay (1.0) Calculated Property
ΔfH°gas	183.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.77	kJ/mol	Joback Calculated Property
ΔvapH°	83.16	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-2.71		Relay (1.0) Calculated Property
logPoct/wat	2.929		Crippen Calculated Property
McVol	170.580	ml/mol	McGowan Calculated Property
Pc	2969.80	kPa	Joback Calculated Property
Inp	[1660.00; 1660.00]
Inp	1660.00		NIST
Inp	1660.00		NIST
Tboil	570.17	K	Relay (1.0) Calculated Property
Tc	835.66	K	Relay (1.0) Calculated Property
Tfus	310.89	K	Relay (1.0) Calculated Property
Vc	0.607	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.02; 541.06]	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			-7.28390e+01
Coefficient B			1.24380e+00
Coefficient C			-8.46800e-04
Coefficient D			2.16900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.02	J/mol×K	273.00	Calculated Property
Cp,gas	270.81	J/mol×K	353.78	Calculated Property
Cp,gas	325.55	J/mol×K	434.56	Calculated Property
Cp,gas	372.93	J/mol×K	515.33	Calculated Property
Cp,gas	413.64	J/mol×K	596.11	Calculated Property
Cp,gas	448.36	J/mol×K	676.89	Calculated Property
Cp,gas	477.77	J/mol×K	757.67	Calculated Property
Cp,gas	502.57	J/mol×K	838.44	Calculated Property
Cp,gas	523.44	J/mol×K	919.22	Calculated Property
Cp,gas	541.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Diphenylethylamine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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