Chemical Properties of Benzenamine, N,N,3-trimethyl- (CAS 121-72-2)

InChI

InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3

InChI Key

CWOMTHDOJCARBY-UHFFFAOYSA-N

Formula

C9H13N

SMILES

Cc1cccc(N(C)C)c1

Molecular Weight¹

135.21

CAS

121-72-2

Other Names

• 3-(Dimethylamino)toluene
• Benzene, 1-(dimethylamino)-3-methyl-
• Benzeneamine,N,N,3-trimethyl-
• Dimethyl-m-toluidine
• Dimetil-m-toluidina
• N,N,3-Trimethylaniline
• N,N,3-Trimethylbenzenamine
• N,N-Dimethyl-3-methylaniline
• N,N-Dimethyl-3-toluidine
• N,N-Dimethyl-m-ethylaniline
• N,N-Dimethyl-m-methylaniline
• N,N-Dimethyl-m-toluidine
• NSC 1788
• m,N,N-trimethylaniline
• m-Methyl-N,N-dimethylaniline
• m-Toluidine, N,N-dimethyl-

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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_p : 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	0.4258		Relay (1.0) Calculated Property
PAff	942.10	kJ/mol	NIST
BasG	915.70	kJ/mol	NIST
ΔcH°liquid	-5413.90 ± 2.20	kJ/mol	NIST
ΔfG°	238.46	kJ/mol	Joback Calculated Property
ΔfH°gas	72.60 ± 7.30	kJ/mol	NIST
ΔfH°liquid	14.40 ± 2.50	kJ/mol	NIST
ΔfusH°	15.74	kJ/mol	Joback Calculated Property
ΔvapH°	[58.20; 58.20]	kJ/mol
ΔvapH°	58.20 ± 6.90	kJ/mol	NIST
ΔvapH°	58.20	kJ/mol	NIST
ΔvapH°	58.20 ± 6.90	kJ/mol	NIST
IE	[7.02; 7.35]	eV
IE	7.02	eV	NIST
IE	7.06	eV	NIST
IE	7.35	eV	NIST
IE	7.24	eV	NIST
IE	7.24	eV	NIST
IE	7.27	eV	NIST
log10WS	-2.24		Relay (1.0) Calculated Property
logPoct/wat	2.061		Crippen Calculated Property
McVol	123.890	ml/mol	McGowan Calculated Property
Pc	3199.16	kPa	Joback Calculated Property
Inp	[1164.60; 1174.00]
Inp	1164.60		NIST
Inp	1174.00		NIST
Inp	1174.00		NIST
Ip	[1653.20; 1664.00]
Ip	1653.20		NIST
Ip	1653.60		NIST
Ip	1664.00		NIST
Tboil	[485.20; 488.20]	K
Tboil	488.20	K	NIST
Tboil	485.20	K	NIST
Tboil	486.50 ± 1.50	K	NIST
Tc	691.63	K	Relay (1.0) Calculated Property
Tfus	258.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.467	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.21; 400.11]	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			-3.55900e+01
Coefficient B			8.44360e-01
Coefficient C			-5.42560e-04
Coefficient D			1.33900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.21	J/mol×K	273.00	Calculated Property
Cp,gas	201.15	J/mol×K	353.78	Calculated Property
Cp,gas	239.86	J/mol×K	434.56	Calculated Property
Cp,gas	273.78	J/mol×K	515.33	Calculated Property
Cp,gas	303.31	J/mol×K	596.11	Calculated Property
Cp,gas	328.89	J/mol×K	676.89	Calculated Property
Cp,gas	350.93	J/mol×K	757.67	Calculated Property
Cp,gas	369.87	J/mol×K	838.44	Calculated Property
Cp,gas	386.12	J/mol×K	919.22	Calculated Property
Cp,gas	400.11	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenamine, N,N,3-trimethyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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