Chemical Properties of BENZENAMINE, 2-METHYL- (CAS 95-53-4)

BENZENAMINE, 2-METHYL-

InChI
InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3
InChI Key
RNVCVTLRINQCPJ-UHFFFAOYSA-N
Formula
C7H9N
SMILES
Cc1ccccc1N
Molecular Weight1
107.16
CAS
95-53-4
Other Names
  • (2-methylphenyl)amine
  • 1-Methyl-2-aminobenzene
  • 1-amino-2-methylbenzene
  • 2-amino-1-methylbenzene
  • 2-aminotoluene
  • 2-methyl-1-aminobenzene
  • 2-methylaniline
  • 2-methylbenzenamine
  • 2-methylphenylamine
  • 2-toluidine
  • Aniline, 2-methyl-
  • C.I. 37077
  • NSC 15348
  • Rcra waste number U328
  • o-Aminotoluene
  • o-Methylaniline
  • o-Methylbenzenamine
  • o-Toluide
  • o-Toluidin
  • o-Toluidyna
  • o-Tolylamine
  • o-toluidine
  • ortho-aminotoluene
  • ortho-methylaniline
  • ortho-methylbenzenamine
  • ortho-toluidine
  • ortho-tolylamine
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Physical Properties

Property Value Unit Source
ω 0.4017 PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
PAff 890.90 kJ/mol NIST
BasG 859.10 kJ/mol NIST
ΔcH°liquid [-4064.00; -4034.00] kJ/mol Show Hide
ΔcH°liquid -4036.09 ± 0.88 kJ/mol NIST
ΔcH°liquid -4034.00 kJ/mol NIST
ΔcH°liquid -4064.00 kJ/mol NIST
ΔfG° 177.29 kJ/mol Joback Calculated Property
ΔfH°gas [51.40; 54.80] kJ/mol Show Hide
ΔfH°gas 53.20 ± 0.50 kJ/mol NIST
ΔfH°gas 54.80 kJ/mol NIST
ΔfH°gas 51.40 kJ/mol NIST
ΔfH°liquid [-6.49; -4.72] kJ/mol Show Hide
ΔfH°liquid -4.72 ± 0.96 kJ/mol NIST
ΔfH°liquid -6.49 kJ/mol NIST
ΔfusH° 12.73 kJ/mol Joback Calculated Property
ΔvapH° [44.10; 63.10] kJ/mol Show Hide
ΔvapH° 57.30 ± 0.20 kJ/mol NIST
ΔvapH° 57.90 ± 0.24 kJ/mol NIST
ΔvapH° 57.90 kJ/mol NIST
ΔvapH° 62.70 ± 0.50 kJ/mol NIST
ΔvapH° Outlier 44.10 kJ/mol NIST
ΔvapH° 63.10 kJ/mol NIST
ΔvapH° 56.20 kJ/mol NIST
IE [7.44; 7.84] eV Show Hide
IE 7.47 ± 0.04 eV NIST
IE 7.58 eV NIST
IE 7.45 ± 0.02 eV NIST
IE 7.52 eV NIST
IE 7.44 ± 0.02 eV NIST
IE 7.60 ± 0.10 eV NIST
IE 7.70 ± 0.10 eV NIST
IE 7.69 eV NIST
IE 7.75 eV NIST
IE 7.84 eV NIST
IE 7.83 eV NIST
IE 7.83 eV NIST
log10WS [-2.21; -0.85]   Show Hide
log10WS -0.85 Aq. Solubility Prediction
log10WS -2.21 Estimated Solubility
logPoct/wat 1.577 Crippen Calculated Property
McVol 95.710 ml/mol McGowan Calculated Property
Pc [3749.02; 4700.00] kPa Show Hide
Pc 4700.00 kPa IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Pc 4650.82 kPa PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc 3749.02 ± 253.31 kPa NIST
Inp [176.52; 1072.00]   Show Hide
Inp 1032.70 NIST
Inp 1040.50 NIST
Inp 1068.00 NIST
Inp 1072.00 NIST
Inp 1068.00 NIST
Inp 1068.00 NIST
Inp 1053.90 NIST
Inp 1053.90 NIST
Inp 1037.00 NIST
Inp 176.52 NIST
Inp 177.86 NIST
Inp 176.65 NIST
Inp 1053.90 NIST
Inp 1032.70 NIST
Inp 1068.00 NIST
Inp 176.52 NIST
Ip [1789.00; 1814.00]   Show Hide
Ip 1796.00 NIST
Ip 1807.00 NIST
Ip 1808.00 NIST
Ip 1814.00 NIST
Ip 1789.00 NIST
Ip 1800.00 NIST
Ip 1796.00 NIST
Ip 1789.00 NIST
Tboil [469.70; 473.85] K Show Hide
Tboil 473.40 K NIST
Tboil 473.35 ± 0.50 K NIST
Tboil 473.35 ± 0.30 K NIST
Tboil 470.40 ± 0.50 K NIST
Tboil 473.45 ± 0.07 K NIST
Tboil 473.50 ± 0.30 K NIST
Tboil 473.55 ± 0.30 K NIST
Tboil 472.45 ± 0.60 K NIST
Tboil 473.45 ± 0.30 K NIST
Tboil 472.99 ± 0.20 K NIST
Tboil 473.30 ± 0.50 K NIST
Tboil 472.85 ± 0.50 K NIST
Tboil 471.35 ± 0.30 K NIST
Tboil 473.85 ± 0.20 K NIST
Tboil Outlier 469.70 ± 1.00 K NIST
Tboil 472.65 ± 0.60 K NIST
Tc [694.15; 717.00] K Show Hide
Tc 717.00 K IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Tc 710.00 K PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc 694.15 ± 2.00 K NIST
Tfus [245.50; 257.70] K Show Hide
Tfus 253.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus 253.55 K Aq. Solubility Prediction
Tfus 250.00 ± 0.20 K NIST
Tfus 249.50 ± 0.02 K NIST
Tfus 257.70 ± 0.60 K NIST
Tfus 256.75 ± 0.50 K NIST
Tfus 249.47 ± 0.05 K NIST
Tfus 256.75 ± 0.30 K NIST
Tfus 245.50 ± 0.40 K NIST
Tfus 256.90 ± 0.30 K NIST
Tfus 248.75 ± 0.30 K NIST
Tfus 248.75 ± 0.20 K NIST
Ttriple [258.73; 258.73] K Show Hide
Ttriple 258.73 ± 0.01 K NIST
Ttriple 258.73 ± 0.01 K NIST
Vc [0.343; 0.346] m3/kmol Show Hide
Vc 0.346 m3/kmol IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Vc 0.343 m3/kmol PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Zc 0.2730000 IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,liquid [164.40; 211.30] J/mol×K [288.00; 303.15] Show Hide
Cp,liquid 201.70 J/mol×K 288.00 NIST
Cp,liquid 211.30 J/mol×K 298.00 NIST
Cp,liquid 209.60 J/mol×K 302.50 NIST
Cp,liquid 209.60 J/mol×K 302.50 NIST
Cp,liquid 164.40 J/mol×K 303.15 NIST
ΔfusH [8.08; 11.66] kJ/mol [249.55; 287.60] Show Hide
ΔfusH 8.10 kJ/mol 249.55 NIST
ΔfusH 8.08 kJ/mol 249.60 NIST
ΔfusH 11.66 kJ/mol 287.60 NIST
ΔfusH 11.66 kJ/mol 287.60 NIST
ΔfusH 11.66 kJ/mol 287.60 NIST
ΔfusH 11.66 kJ/mol 287.60 NIST
ΔvapH [42.70; 57.80] kJ/mol [403.50; 432.50] Show Hide
ΔvapH 51.50 kJ/mol 403.50 NIST
ΔvapH 54.50 kJ/mol 403.50 NIST
ΔvapH 51.50 kJ/mol 403.50 NIST
ΔvapH 48.60 kJ/mol 403.50 NIST
ΔvapH 45.70 kJ/mol 403.50 NIST
ΔvapH 42.70 kJ/mol 403.50 NIST
ΔvapH 57.80 kJ/mol 403.50 NIST
ΔvapH 54.50 kJ/mol 403.50 NIST
ΔvapH 57.80 kJ/mol 403.50 NIST
ΔvapH 48.60 kJ/mol 403.50 NIST
ΔvapH 45.70 kJ/mol 403.50 NIST
ΔvapH 42.70 kJ/mol 403.50 NIST
ΔvapH 50.00 kJ/mol 432.50 NIST
Pvap 0.04 kPa 298.15 Thermodynamic Properties of Binary Mixtures of Tetrahydropyran with Anilines at 308.15 K
ρl [986.06; 998.43] kg/m3 [293.15; 308.15] Show Hide
ρl 998.43 kg/m3 293.15 Thermodynamic Properties of Ternary Mixtures Containing Ionic Liquid and Organic Liquids: Excess Molar Volume and Excess Isentropic Compressibility
ρl 998.40 kg/m3 293.15 Excess Heat Capacities of Binary and Ternary Mixtures Containing 1-Ethyl-3-methylimidazolium Tetrafluoroborate and Anilines
ρl 994.28 kg/m3 298.15 Topological and thermodynamic investigations of binary mixtures: Molar excess volumes, molar excess enthalpies and isentropic compressibility changes of mixing
ρl 994.34 kg/m3 298.15 Thermodynamics of mixtures containing amines VI. Liquid liquid equilibria for mixtures of o-toluidine + selected alkanes
ρl 994.20 kg/m3 298.15 Thermodynamic properties of liquid mixtures containing 1,3-dioxolane and anilines: Excess molar volumes, excess molar enthalpies, excess Gibb's free energy and isentropic compressibilities changes of mixing
ρl 994.35 kg/m3 298.15 Thermodynamic and topological investigations of ternary mixtures with o-toluidine, tetrahydropyran, and picolines: Excess molar volume and excess isentropic compressibility
ρl 994.36 kg/m3 298.15 Thermodynamic Properties of Ternary Mixtures Containing Ionic Liquid and Organic Liquids: Excess Molar Volume and Excess Isentropic Compressibility
ρl 994.35 kg/m3 298.15 Thermodynamic studies of molecular interactions in mixtures of o-toulidine with pyridine and picolines: Excess molar volumes, excess molar enthalpies, and excess isentropic compressibilities
ρl 994.40 kg/m3 298.15 Excess Heat Capacities of Binary and Ternary Mixtures Containing 1-Ethyl-3-methylimidazolium Tetrafluoroborate and Anilines
ρl 994.28 kg/m3 298.15 Molar Excess Volumes and Excess Isentropic Compressibilities of Ternary Mixtures of o-Toluidine
ρl 994.28 kg/m3 298.15 Molar Excess Volumes and Excess Isentropic Compressibilities of {2-Methylaniline (i) + Benzene (j) + Methylbenzene}, {2-Methylaniline (i) + Benzene (j) + 1,2-Dimethylbenzene (k)}, and {2-Methylaniline (i) + Benzene (j) + 1,4-Dimethylbenzene (k)} at T = 308.15 K
ρl 990.23 kg/m3 303.15 Thermodynamic Properties of Ternary Mixtures Containing Ionic Liquid and Organic Liquids: Excess Molar Volume and Excess Isentropic Compressibility
ρl 990.20 kg/m3 303.15 Excess Heat Capacities of Binary and Ternary Mixtures Containing 1-Ethyl-3-methylimidazolium Tetrafluoroborate and Anilines
ρl 986.06 kg/m3 308.15 Thermodynamic Properties of Ternary Mixtures Containing Ionic Liquid and Organic Liquids: Excess Molar Volume and Excess Isentropic Compressibility
ρl 986.10 kg/m3 308.15 Excess Heat Capacities of Binary and Ternary Mixtures Containing 1-Ethyl-3-methylimidazolium Tetrafluoroborate and Anilines
ΔfusS 32.00 J/mol×K 249.55 NIST
csound,fluid [1501.00; 1602.60] m/s [298.15; 323.15] Show Hide
csound,fluid 1602.60 m/s 298.15 Topological investigations of molecular interactions of binary and ternary mixtures containing tetrahydropyran, o-toluidine and N-methyl formamide
csound,fluid 1579.00 m/s 303.15 Thermodynamic and acoustic properties of binary mixtures of ethers. III. Diisopropyl ether or oxolane with o- or m-toluidines at 303.15, 313.15 and 323.15 K
csound,fluid 1577.80 m/s 303.15 Topological investigations of molecular interactions of binary and ternary mixtures containing tetrahydropyran, o-toluidine and N-methyl formamide
csound,fluid 1558.38 m/s 308.15 Topological investigations of molecular interactions of binary and ternary mixtures containing tetrahydropyran, o-toluidine and N-methyl formamide
csound,fluid 1558.40 m/s 308.15 Topological investigations of molecular interactions of binary and ternary mixtures containing tetrahydropyran, o-toluidine and N-methyl formamide
csound,fluid 1539.00 m/s 313.15 Thermodynamic and acoustic properties of binary mixtures of ethers. III. Diisopropyl ether or oxolane with o- or m-toluidines at 303.15, 313.15 and 323.15 K
csound,fluid 1501.00 m/s 323.15 Thermodynamic and acoustic properties of binary mixtures of ethers. III. Diisopropyl ether or oxolane with o- or m-toluidines at 303.15, 313.15 and 323.15 K

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [119.65; 294.87] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.65900e+01
Coefficient B5.92320e-01
Coefficient C-3.64560e-04
Coefficient D8.37000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 119.65 J/mol×K 273.00 Calculated Property
Cp,gas 151.04 J/mol×K 353.78 Calculated Property
Cp,gas 178.83 J/mol×K 434.56 Calculated Property
Cp,gas 203.29 J/mol×K 515.33 Calculated Property
Cp,gas 224.68 J/mol×K 596.11 Calculated Property
Cp,gas 243.27 J/mol×K 676.89 Calculated Property
Cp,gas 259.32 J/mol×K 757.67 Calculated Property
Cp,gas 273.09 J/mol×K 838.44 Calculated Property
Cp,gas 284.85 J/mol×K 919.22 Calculated Property
Cp,gas 294.87 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
Pvap [2.25e-04; 3812.83] kPa [249.47; 694.15] KDB Vapor Pressure Data Show Hide
Equationln(Y) = A + B/T + C·ln(T) + D·T² + E/T²
Y is Pvap in kPa, T in K
Coefficient A1.43007e+02
Coefficient B-1.23010e+04
Coefficient C-1.86082e+01
Coefficient D9.77089e-06
Coefficient E0.00000e+00
Temperature range, min.249.47
Temperature range, max.694.15
Pvap 2.25e-04 kPa 249.47 Calculated Property
Pvap 0.04 kPa 298.88 Calculated Property
Pvap 0.96 kPa 348.29 Calculated Property
Pvap 9.38 kPa 397.70 Calculated Property
Pvap 48.68 kPa 447.11 Calculated Property
Pvap 168.72 kPa 496.51 Calculated Property
Pvap 449.65 kPa 545.92 Calculated Property
Pvap 1009.54 kPa 595.33 Calculated Property
Pvap 2029.90 kPa 644.74 Calculated Property
Pvap 3812.83 kPa 694.15 Calculated Property
Pvap [7.59; 101.39] kPa [391.61; 473.50] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.42569e+01
Coefficient B-3.72381e+03
Coefficient C-8.71260e+01
ReferenceDreisbach and Shrader, 1949
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.391.61
Temperature range, max.473.50
Pvap 7.59 kPa 391.61 Calculated Property
Pvap 10.82 kPa 400.71 Calculated Property
Pvap 15.13 kPa 409.81 Calculated Property
Pvap 20.76 kPa 418.91 Calculated Property
Pvap 28.01 kPa 428.01 Calculated Property
Pvap 37.22 kPa 437.10 Calculated Property
Pvap 48.73 kPa 446.20 Calculated Property
Pvap 62.97 kPa 455.30 Calculated Property
Pvap 80.37 kPa 464.40 Calculated Property
Pvap 101.39 kPa 473.50 Calculated Property
Property Value Unit Temperature (K) Source
γ [0.04; 0.02] N/m [256.65; 473.15] Jasper (1972), surface tension of pure liquid compounds Compiled value Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is γ in N/m, T in K
Coefficient A7.27526e-02
Coefficient B-1.09400e-04
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
Temperature range, min.256.65
Temperature range, max.473.15
γ 0.04 N/m 256.65 Calculated Property
γ 0.04 N/m 280.71 Calculated Property
γ 0.04 N/m 304.76 Calculated Property
γ 0.04 N/m 328.82 Calculated Property
γ 0.03 N/m 352.87 Calculated Property
γ 0.03 N/m 376.93 Calculated Property
γ 0.03 N/m 400.98 Calculated Property
γ 0.03 N/m 425.04 Calculated Property
γ 0.02 N/m 449.09 Calculated Property
γ 0.02 N/m 473.15 Calculated Property

Similar Compounds

Benzenamine, 2,4-dimethyl-. Benzenamine, 2,5-dimethyl-. 1,3-Benzenediamine, 4-methyl-. 2,6-Xylidine. 1,4-Benzenediamine, 2-methyl-. 1,2-Benzenediamine, 3-methyl-. 1,3-Benzenediamine, 2-methyl-. Benzenamine, 2,3-dimethyl-. 2-Amino-4-iodotoluene. 2-Amino-5-iodotoluene. Benzenamine, 5-chloro-2-methyl-. Benzenamine, 3-methyl-. 2-aminobenzaldehyde. Benzenamine, 4-chloro-2-methyl-. 3-Methyl-2-naphthylamine.

Find more compounds similar to BENZENAMINE, 2-METHYL-.

Mixtures

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