Benzenamine, N,N-dimethyl- (CAS 121-69-7)

InChI

InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3

InChI Key

JLTDJTHDQAWBAV-UHFFFAOYSA-N

Formula

C8H11N

SMILES

CN(C)c1ccccc1

Molecular Weight¹

121.18

CAS

121-69-7

Other Names

(Dimethylamino)benzene
Aniline, N,N-dimethyl-
Dimethylaniline
Dimethylphenylamine
Dwumetyloanilina
N,N-(Dimethylamino)benzene
N,N-Dimethylbenzeneamine
N,N-dimethylanilin
N,N-dimethylaniline
N,N-dimethylbenzenamine
N,N-dimethylphenylamine
NCI-C56428
NL 63-10P
NSC 7195
UN 2253
Versneller NL 63/10

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).
C_p,liquid : Liquid phase heat capacity (J/mol×K).
μ : Dipole Moment (debye).
η : Dynamic viscosity (Pa×s).
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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
Δ_vapH : Enthalpy of vaporization at a given temperature (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).
NFPA Fire : NFPA Fire Rating.
NFPA Health : NFPA Health Rating.
P_c : Critical Pressure (kPa).
P_vap : Vapor pressure (kPa).
ρ_l : Liquid Density (kg/m³).
I_np : Non-polar retention indices.
I : Polar retention indices.
c_sound,fluid : Speed of sound in fluid (m/s).
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).
¹: Molecular weight from the IUPAC atomic weights tables.

Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Please note that you need to enable javascript to get access to all the properties. Here is how to do it for Internet Explorer and for Firefox.

Physical Properties

Property	Value	Unit	Source
ω	0.4110		KDB
PAff	941.10	kJ/mol	NIST
BasG	909.20	kJ/mol	NIST
Δ_cH°_liquid	[-4767.80; -4754.30]	kJ/mol
Δ_cH°_liquid	-4767.80 ± 3.20	kJ/mol	NIST
Δ_cH°_liquid	-4754.30	kJ/mol	NIST
μ	1.60	debye	KDB
Δ_fG°	231.40	kJ/mol	KDB
Δ_fH°_gas	[84.10; 100.50]	kJ/mol
Δ_fH°_gas	84.15	kJ/mol	KDB
Δ_fH°_gas	100.50 ± 3.40	kJ/mol	NIST
Δ_fH°_gas	84.10	kJ/mol	NIST
Δ_fH°_liquid	[34.00; 47.70]	kJ/mol
Δ_fH°_liquid	47.70 ± 3.40	kJ/mol	NIST
Δ_fH°_liquid	34.00	kJ/mol	NIST
Δ_fusH°	13.54	kJ/mol	Joback Calculated Property
Δ_vapH°	[49.80; 52.83]	kJ/mol
Δ_vapH°	52.83	kJ/mol	NIST
Δ_vapH°	52.83 ± 0.03	kJ/mol	NIST
Δ_vapH°	52.80	kJ/mol	NIST
Δ_vapH°	52.80 ± 0.10	kJ/mol	NIST
Δ_vapH°	49.80	kJ/mol	NIST
Δ_vapH°	50.10	kJ/mol	NIST
IE	[7.10; 7.92]	eV
IE	7.12 ± 0.02	eV	NIST
IE	7.15	eV	NIST
IE	7.78	eV	NIST
IE	7.10 ± 0.02	eV	NIST
IE	7.42	eV	NIST
IE	7.11	eV	NIST
IE	7.13 ± 0.04	eV	NIST
IE	7.20	eV	NIST
IE	7.10 ± 0.05	eV	NIST
IE	7.31	eV	NIST
IE	7.20	eV	NIST
IE	7.14 ± 0.03	eV	NIST
IE	7.35	eV	NIST
IE	Outlier 7.92	eV	NIST
IE	7.60	eV	NIST
IE	7.37	eV	NIST
IE	7.51	eV	NIST
log₁₀WS	[-1.92; -1.92]
log₁₀WS	-1.92		Aq. Solubility Prediction
log₁₀WS	-1.92		Estimated Solubility
logP_oct/wat	1.753		Crippen Calculated Property
McVol	109.800	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
NFPA Health	3		KDB
P_c	[3576.77; 3657.83]	kPa
P_c	3630.00	kPa	KDB
P_c	3610.00 ± 91.19	kPa	NIST
P_c	3650.00 ± 91.19	kPa	NIST
P_c	3597.04 ± 151.99	kPa	NIST
P_c	3627.44 ± 151.99	kPa	NIST
P_c	3657.83 ± 151.99	kPa	NIST
P_c	3637.57 ± 151.99	kPa	NIST
P_c	3576.77 ± 151.99	kPa	NIST
I_np	[1061.00; 1104.00]
I_np	1065.40		NIST
I_np	1100.00		NIST
I_np	1083.90		NIST
I_np	1094.50		NIST
I_np	1074.00		NIST
I_np	1087.00		NIST
I_np	1100.00		NIST
I_np	1103.00		NIST
I_np	1065.40		NIST
I_np	1062.37		NIST
I_np	1062.07		NIST
I_np	1063.00		NIST
I_np	1062.71		NIST
I_np	1100.00		NIST
I_np	1104.00		NIST
I_np	1086.00		NIST
I_np	1073.00		NIST
I_np	1062.00		NIST
I_np	1067.00		NIST
I_np	1086.10		NIST
I_np	1073.00		NIST
I_np	1061.00		NIST
I_np	1068.00		NIST
I_np	1080.00		NIST
I_np	1083.90		NIST
I_np	1104.00		NIST
I_np	1068.00		NIST
I	[1569.90; 1605.00]
I	1569.90		NIST
I	1602.00		NIST
I	1599.00		NIST
I	1603.00		NIST
I	1605.00		NIST
I	1604.80		NIST
I	1603.40		NIST
I	1574.00		NIST
I	1574.00		NIST
I	1569.90		NIST
I	1604.80		NIST
T_boil	[462.70; 467.30]	K
T_boil	467.30	K	KDB
T_boil	467.20	K	NIST
T_boil	466.55 ± 0.40	K	NIST
T_boil	467.15 ± 1.50	K	NIST
T_boil	467.20 ± 0.30	K	NIST
T_boil	465.40 ± 0.50	K	NIST
T_boil	467.20 ± 0.30	K	NIST
T_boil	467.20 ± 0.50	K	NIST
T_boil	Outlier 462.70 ± 1.00	K	NIST
T_boil	466.90 ± 1.00	K	NIST
T_boil	466.15 ± 0.50	K	NIST
T_c	[687.00; 687.95]	K
T_c	687.00	K	KDB
T_c	687.70 ± 2.00	K	NIST
T_c	687.20 ± 2.00	K	NIST
T_c	687.75 ± 1.00	K	NIST
T_c	687.35 ± 1.50	K	NIST
T_c	687.25 ± 1.50	K	NIST
T_c	687.95 ± 1.00	K	NIST
T_fus	[272.00; 275.75]	K
T_fus	275.60	K	KDB
T_fus	275.53	K	Aq. Solubility Prediction
T_fus	275.65 ± 0.30	K	NIST
T_fus	Outlier 272.00 ± 1.00	K	NIST
T_fus	275.60 ± 0.30	K	NIST
T_fus	275.36 ± 0.25	K	NIST
T_fus	275.75 ± 0.20	K	NIST
T_fus	275.35 ± 0.40	K	NIST
T_fus	274.60 ± 0.14	K	NIST
T_fus	274.15 ± 0.30	K	NIST

Cheméo can also estimate Critical Volume 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
C_p,gas	[204.33; 276.52]	J/mol×K	[421.56; 628.44]

C_p,gas	204.33	J/mol×K	421.56	Joback Calculated Property
C_p,gas	218.35	J/mol×K	456.04	Joback Calculated Property
C_p,gas	231.52	J/mol×K	490.52	Joback Calculated Property
C_p,gas	243.89	J/mol×K	525.00	Joback Calculated Property
C_p,gas	255.49	J/mol×K	559.48	Joback Calculated Property
C_p,gas	266.35	J/mol×K	593.96	Joback Calculated Property
C_p,gas	276.52	J/mol×K	628.44	Joback Calculated Property
C_p,liquid	[209.60; 214.60]	J/mol×K	[283.00; 302.40]

C_p,liquid	212.10	J/mol×K	283.00	NIST
C_p,liquid	209.60	J/mol×K	289.00	NIST
C_p,liquid	212.10	J/mol×K	298.00	NIST
C_p,liquid	214.60	J/mol×K	302.30	NIST
C_p,liquid	214.60	J/mol×K	302.40	NIST
η	[0.0008259; 0.0016960]	Pa×s	[283.15; 343.15]

η	0.0016960	Pa×s	283.15	Densities and Viscosities for Binary and Ternary Mixtures of 1, 4-Dioxane + 1-Hexanol + N,N-Dimethylaniline from T ) (283.15 to 343.15) K
η	0.0014390	Pa×s	293.15	Densities and Viscosities for Binary and Ternary Mixtures of 1, 4-Dioxane + 1-Hexanol + N,N-Dimethylaniline from T ) (283.15 to 343.15) K
η	0.0011743	Pa×s	303.15	Densities and Viscosities of Binary Mixtures of Propanoic Acid with N,N-Dimethylaniline and N,N-Diethylaniline at T = (303.15, 313.15, and 323.15) K
η	0.0011700	Pa×s	303.15	Densities and Viscosities for Binary and Ternary Mixtures of 1, 4-Dioxane + 1-Hexanol + N,N-Dimethylaniline from T ) (283.15 to 343.15) K
η	0.0009823	Pa×s	313.15	Densities and Viscosities of Binary Mixtures of Propanoic Acid with N,N-Dimethylaniline and N,N-Diethylaniline at T = (303.15, 313.15, and 323.15) K
η	0.0009810	Pa×s	313.15	Densities and Viscosities for Binary and Ternary Mixtures of 1, 4-Dioxane + 1-Hexanol + N,N-Dimethylaniline from T ) (283.15 to 343.15) K
η	0.0008259	Pa×s	323.15	Densities and Viscosities of Binary Mixtures of Propanoic Acid with N,N-Dimethylaniline and N,N-Diethylaniline at T = (303.15, 313.15, and 323.15) K
η	0.0009280	Pa×s	323.15	Densities and Viscosities for Binary and Ternary Mixtures of 1, 4-Dioxane + 1-Hexanol + N,N-Dimethylaniline from T ) (283.15 to 343.15) K
η	0.0009110	Pa×s	333.15	Densities and Viscosities for Binary and Ternary Mixtures of 1, 4-Dioxane + 1-Hexanol + N,N-Dimethylaniline from T ) (283.15 to 343.15) K
η	0.0008410	Pa×s	343.15	Densities and Viscosities for Binary and Ternary Mixtures of 1, 4-Dioxane + 1-Hexanol + N,N-Dimethylaniline from T ) (283.15 to 343.15) K
Δ_fusH	[11.56; 11.56]	kJ/mol	[275.60; 275.60]
Δ_fusH	11.56	kJ/mol	275.60	NIST
Δ_fusH	11.56	kJ/mol	275.60	NIST
Δ_vapH	[44.35; 53.70]	kJ/mol	[303.50; 465.70]
Δ_vapH	53.70 ± 0.50	kJ/mol	303.50	NIST
Δ_vapH	47.60	kJ/mol	384.50	NIST
Δ_vapH	49.20	kJ/mol	390.50	NIST
Δ_vapH	44.35	kJ/mol	465.70	NIST
P_vap	[5.16; 8.04]	kPa	[373.70; 384.96]
P_vap	5.16	kPa	373.70	Vapor-Liquid Equilibrium for the Binary System of N,N-Dimethylaniline with 2-Amino-3-methylpyridine
P_vap	8.04	kPa	384.96	Vapor-Liquid Equilibrium for the Binary System of N,N-Dimethylaniline with 2-Amino-3-methylpyridine
ρ_l	[923.50; 960.60]	kg/m³	[288.15; 333.15]

ρ_l	960.60	kg/m³	288.15	Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion
ρ_l	956.00	kg/m³	293.00	KDB
ρ_l	956.50	kg/m³	293.15	Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion
ρ_l	952.05	kg/m³	298.15	Cloud Point Phenomena in the (Aniline or N,N-Dimethylaniline + Water) Solutions, and Cosolvent Effects of Liquid Poly(ethylene glycol) Addition: Experimental Measurements and Modeling
ρ_l	952.30	kg/m³	298.15	Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion
ρ_l	947.70	kg/m³	303.15	Volumetric and transport properties of binary liquid mixtures of sulfolane with aniline, N,N-dimethylaniline and N,N-diethylaniline at different temperatures and atmospheric pressure
ρ_l	948.18	kg/m³	303.15	Study on thermo physical properties of binary mixture containing aromatic alcohol with aromatic, substituted aromatic amines at different temperatures interms of FT-IR, 1H NMR spectroscopic and DFT method
ρ_l	948.20	kg/m³	303.15	Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion
ρ_l	943.50	kg/m³	308.15	Volumetric and transport properties of binary liquid mixtures of sulfolane with aniline, N,N-dimethylaniline and N,N-diethylaniline at different temperatures and atmospheric pressure
ρ_l	944.10	kg/m³	308.15	Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion
ρ_l	943.55	kg/m³	308.15	Study on thermo physical properties of binary mixture containing aromatic alcohol with aromatic, substituted aromatic amines at different temperatures interms of FT-IR, 1H NMR spectroscopic and DFT method
ρ_l	939.78	kg/m³	313.15	Study on thermo physical properties of binary mixture containing aromatic alcohol with aromatic, substituted aromatic amines at different temperatures interms of FT-IR, 1H NMR spectroscopic and DFT method
ρ_l	939.40	kg/m³	313.15	Volumetric and transport properties of binary liquid mixtures of sulfolane with aniline, N,N-dimethylaniline and N,N-diethylaniline at different temperatures and atmospheric pressure
ρ_l	940.00	kg/m³	313.15	Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion
ρ_l	935.30	kg/m³	318.15	Study on thermo physical properties of binary mixture containing aromatic alcohol with aromatic, substituted aromatic amines at different temperatures interms of FT-IR, 1H NMR spectroscopic and DFT method
ρ_l	935.90	kg/m³	318.15	Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion
ρ_l	931.45	kg/m³	323.15	Study on thermo physical properties of binary mixture containing aromatic alcohol with aromatic, substituted aromatic amines at different temperatures interms of FT-IR, 1H NMR spectroscopic and DFT method
ρ_l	931.80	kg/m³	323.15	Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion
ρ_l	927.70	kg/m³	328.15	Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion
ρ_l	923.50	kg/m³	333.15	Excess molar volumes and viscosity behaviour of binary mixtures of aniline/or N,N-dimethylaniline with imidazolium ionic liquids having triflate or bistriflamide anion
c_sound,fluid	[1393.00; 1468.00]	m/s	[303.15; 323.15]
c_sound,fluid	1468.00	m/s	303.15	Thermodynamic and acoustic properties of binary mixtures of ethers. IV. Diisopropyl ether or oxolane with N,N-dimethylaniline or N,Ndiethylaniline at 303.15, 313.15 and 323.15 K
c_sound,fluid	1431.00	m/s	313.15	Thermodynamic and acoustic properties of binary mixtures of ethers. IV. Diisopropyl ether or oxolane with N,N-dimethylaniline or N,Ndiethylaniline at 303.15, 313.15 and 323.15 K
c_sound,fluid	1393.00	m/s	323.15	Thermodynamic and acoustic properties of binary mixtures of ethers. IV. Diisopropyl ether or oxolane with N,N-dimethylaniline or N,Ndiethylaniline at 303.15, 313.15 and 323.15 K

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
T_boilr	350.20	K	1.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
P_vap	[1.33; 202.63]	kPa	[342.92; 495.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.50960e+01
Coefficient B			-4.40969e+03
Coefficient C			-4.51330e+01
Temperature range, min.			342.92
Temperature range, max.			495.81

P_vap	1.33	kPa	342.92	Calculated Property
P_vap	2.97	kPa	359.91	Calculated Property
P_vap	6.08	kPa	376.90	Calculated Property
P_vap	11.61	kPa	393.88	Calculated Property
P_vap	20.88	kPa	410.87	Calculated Property
P_vap	35.67	kPa	427.86	Calculated Property
P_vap	58.20	kPa	444.85	Calculated Property
P_vap	91.25	kPa	461.83	Calculated Property
P_vap	138.12	kPa	478.82	Calculated Property
P_vap	202.63	kPa	495.81	Calculated Property
P_vap	[0.02; 3612.43]	kPa	[275.60; 687.15]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + Cln(T) + DT^2
Coefficient A			4.20032e+01
Coefficient B			-7.05985e+03
Coefficient C			-3.63909e+00
Coefficient D			4.98882e-07
Temperature range, min.			275.60
Temperature range, max.			687.15

P_vap	0.02	kPa	275.60	Calculated Property
P_vap	0.40	kPa	321.33	Calculated Property
P_vap	3.84	kPa	367.06	Calculated Property
P_vap	21.48	kPa	412.78	Calculated Property
P_vap	82.31	kPa	458.51	Calculated Property
P_vap	240.53	kPa	504.24	Calculated Property
P_vap	575.43	kPa	549.97	Calculated Property
P_vap	1183.22	kPa	595.69	Calculated Property
P_vap	2164.57	kPa	641.42	Calculated Property
P_vap	3612.43	kPa	687.15	Calculated Property

Similar Compounds

1,4-Benzenediamine, N,N,N',N'-tetramethyl-.

1,3-BENZENEDIAMINE, N,N,N',N'-TETRAMETHYL-.

1,2-Benzenediamine, N,N,N',N'-tetramethyl-.

Benzenamine, 4-isothiocyanato-N,N-dimethyl-.

Benzenamine, N,N-dimethyl-4-(phenylazo)-.

Find more compounds similar to Benzenamine, N,N-dimethyl-.

Mixtures

Sources

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

Chemical Properties of Benzenamine, N,N-dimethyl- (CAS 121-69-7)