Chemical Properties of Dibemethine (CAS 102-05-6)

InChI

InChI=1S/C15H17N/c1-16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3

InChI Key

WYZDCUGWXKHESN-UHFFFAOYSA-N

Formula

C15H17N

SMILES

CN(Cc1ccccc1)Cc1ccccc1

Molecular Weight¹

211.30

CAS

102-05-6

Other Names

• Benzenemethanamine, N-methyl-N-(phenylmethyl)-
• Dibenzylamine, N-methyl-
• Dibemethin
• Dibenzylmethylamine
• DBMA
• L 566
• Methyldibenzylamine
• N-Methyl-N,N-Dibenzylamine
• N-Methyldibenzylamine
• N,N-Dibenzylmethylamine
• Revoxyl
• NSC 163900

• 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).
• 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	0.4724		Relay (1.0) Calculated Property
ΔfG°	411.02	kJ/mol	Joback Calculated Property
ΔfH°gas	214.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.71	kJ/mol	Joback Calculated Property
ΔvapH°	82.17	kJ/mol	Relay (1.0) Calculated Property
IE	7.85	eV	NIST
log10WS	-2.58		Relay (1.0) Calculated Property
logPoct/wat	3.319		Crippen Calculated Property
McVol	184.670	ml/mol	McGowan Calculated Property
Pc	2505.01	kPa	Joback Calculated Property
Inp	[1657.10; 1657.10]
Inp	1657.10		NIST
Inp	1657.10		NIST
I	[2251.00; 2251.00]
I	2251.00		NIST
I	2251.00		NIST
Tboil	579.55	K	Relay (1.0) Calculated Property
Tc	804.96	K	Relay (1.0) Calculated Property
Tfus	296.19	K	Relay (1.0) Calculated Property
Vc	0.685	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.68; 594.17]	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			-8.92480e+01
Coefficient B			1.39492e+00
Coefficient C			-9.67200e-04
Coefficient D			2.55700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.68	J/mol×K	273.00	Calculated Property
Cp,gas	294.51	J/mol×K	353.78	Calculated Property
Cp,gas	355.26	J/mol×K	434.56	Calculated Property
Cp,gas	407.74	J/mol×K	515.33	Calculated Property
Cp,gas	452.75	J/mol×K	596.11	Calculated Property
Cp,gas	491.11	J/mol×K	676.89	Calculated Property
Cp,gas	523.62	J/mol×K	757.67	Calculated Property
Cp,gas	551.10	J/mol×K	838.44	Calculated Property
Cp,gas	574.34	J/mol×K	919.22	Calculated Property
Cp,gas	594.17	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dibemethine.

Sources

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

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