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

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

• 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 : 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
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	-1.86		Crippen 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
I	[1653.20; 1664.00]
I	1653.20		NIST
I	1653.60		NIST
I	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	655.29	K	Joback Calculated Property
Tfus	262.60	K	Joback Calculated Property
Vc	0.450	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[246.45; 322.41]	J/mol×K	[449.42; 655.29]
Cp,gas	246.45	J/mol×K	449.42	Joback Calculated Property
Cp,gas	261.05	J/mol×K	483.73	Joback Calculated Property
Cp,gas	274.83	J/mol×K	518.04	Joback Calculated Property
Cp,gas	287.83	J/mol×K	552.35	Joback Calculated Property
Cp,gas	300.07	J/mol×K	586.67	Joback Calculated Property
Cp,gas	311.58	J/mol×K	620.98	Joback Calculated Property
Cp,gas	322.41	J/mol×K	655.29	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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