Chemical Properties of o-Toluidine (CAS 95-53-4)

o-Toluidine

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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
107.15
CAS
95-53-4
Other Names
  • (2-methylphenyl)amine
  • 1-Amino-2-methylbenzene
  • 1-Methyl-2-aminobenzene
  • 2-Amino-1-methylbenzene
  • 2-Aminotoluene
  • 2-Methyl-1-aminobenzene
  • 2-Methylaniline
  • 2-Methylbenzenamine
  • 2-Toluidine
  • 2-methylphenylamine
  • Aniline, 2-methyl-
  • Benzenamine, 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
  • ortho-aminotoluene
  • ortho-methylaniline
  • ortho-methylbenzenamine
  • ortho-toluidine
  • ortho-tolylamine
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Physical Properties

Property Value Unit Source
PAff 890.90 kJ/mol NIST
BasG 859.10 kJ/mol NIST
Δcliquid [-4064.00; -4034.00] kJ/mol Show Hide
Δcliquid -4036.09 ± 0.88 kJ/mol NIST
Δcliquid -4034.00 kJ/mol NIST
Δcliquid -4064.00 kJ/mol NIST
Δf 177.29 kJ/mol Joback Calculated Property
Δfgas [51.40; 54.80] kJ/mol Show Hide
Δfgas 53.20 ± 0.50 kJ/mol NIST
Δfgas 54.80 kJ/mol NIST
Δfgas 51.40 kJ/mol NIST
Δfliquid [-6.49; -4.72] kJ/mol Show Hide
Δfliquid -4.72 ± 0.96 kJ/mol NIST
Δfliquid -6.49 kJ/mol NIST
Δfus 12.73 kJ/mol Joback Calculated Property
Δvap [44.10; 63.10] kJ/mol Show Hide
Δvap 57.30 ± 0.20 kJ/mol NIST
Δvap 57.90 ± 0.24 kJ/mol NIST
Δvap 57.90 kJ/mol NIST
Δvap 62.70 ± 0.50 kJ/mol NIST
Δvap Outlier 44.10 kJ/mol NIST
Δvap 63.10 kJ/mol NIST
Δvap 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. Sol...
log10WS -2.21 Estimat...
logPoct/wat 1.577 Crippen Calculated Property
McVol 95.710 ml/mol McGowan Calculated Property
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 1068.00 NIST
Inp 1053.90 NIST
Inp 1032.70 NIST
Inp 176.52 NIST
I [1789.00; 1814.00]   Show Hide
I 1796.00 NIST
I 1807.00 NIST
I 1808.00 NIST
I 1814.00 NIST
I 1789.00 NIST
I 1800.00 NIST
I 1789.00 NIST
I 1796.00 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 ± 2.00 K NIST
Tfus [245.50; 257.70] K Show Hide
Tfus 253.55 K Aq. Sol...
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 ± 0.01 K NIST
Vc 0.348 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [188.04; 246.42] J/mol×K [463.75; 691.81] Show Hide
Cp,gas 188.04 J/mol×K 463.75 Joback Calculated Property
Cp,gas 199.40 J/mol×K 501.76 Joback Calculated Property
Cp,gas 210.07 J/mol×K 539.77 Joback Calculated Property
Cp,gas 220.08 J/mol×K 577.78 Joback Calculated Property
Cp,gas 229.46 J/mol×K 615.79 Joback Calculated Property
Cp,gas 238.23 J/mol×K 653.80 Joback Calculated Property
Cp,gas 246.42 J/mol×K 691.81 Joback Calculated Property
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
ΔvapH [42.70; 57.80] kJ/mol [403.50; 432.50] Show Hide
ΔvapH 57.80 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 50.00 kJ/mol 432.50 NIST
Pvap 0.04 kPa 298.15 Thermod...
ρl [986.06; 998.43] kg/m3 [293.15; 308.15] Show Hide
ρl 998.43 kg/m3 293.15 Thermod...
ρl 998.40 kg/m3 293.15 Excess ...
ρl 994.28 kg/m3 298.15 Molar E...
ρl 994.28 kg/m3 298.15 Topolog...
ρl 994.20 kg/m3 298.15 Thermod...
ρl 994.35 kg/m3 298.15 Thermod...
ρl 994.36 kg/m3 298.15 Thermod...
ρl 994.34 kg/m3 298.15 Thermod...
ρl 994.28 kg/m3 298.15 Molar E...
ρl 994.35 kg/m3 298.15 Thermod...
ρl 994.40 kg/m3 298.15 Excess ...
ρl 990.20 kg/m3 303.15 Excess ...
ρl 990.23 kg/m3 303.15 Thermod...
ρl 986.10 kg/m3 308.15 Excess ...
ρl 986.06 kg/m3 308.15 Thermod...
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 Topolog...
csound,fluid 1579.00 m/s 303.15 Thermod...
csound,fluid 1577.80 m/s 303.15 Topolog...
csound,fluid 1558.38 m/s 308.15 Topolog...
csound,fluid 1558.40 m/s 308.15 Topolog...
csound,fluid 1539.00 m/s 313.15 Thermod...
csound,fluid 1501.00 m/s 323.15 Thermod...

Correlations

Property Value Unit Temperature (K) Source
Pvap [2.25e-04; 3812.83] kPa [249.47; 694.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.43007e+02
Coefficient B-1.23010e+04
Coefficient C-1.86082e+01
Coefficient D9.77089e-06
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

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-. 2-Naphthalenamine, 3-methyl-.

Find more compounds similar to o-Toluidine.

Mixtures

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Sources

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