Chemical Properties of Aniline, N-methyl- (CAS 100-61-8)

Aniline, N-methyl-

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InChI
InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
InChI Key
AFBPFSWMIHJQDM-UHFFFAOYSA-N
Formula
C7H9N
SMILES
CNc1ccccc1
Molecular Weight1
107.15
CAS
100-61-8
Other Names
  • (Methylamino)benzene
  • ANILINOMETHANE
  • Benzenamine, N-methyl-
  • Benzeneamine, N-methyl-
  • Methylaniline
  • Methylphenylamine
  • Monomethylaniline
  • N-METHYLBENZENAMINE
  • N-Methylaminobenzene
  • N-Methylaniline
  • N-Methylphenylamine
  • N-Monomethylaniline
  • N-Phenylmethylamine
  • NSC 3502
  • UN 2294
  • phenylmethylamine
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Physical Properties

Property Value Unit Source
ω 0.4750 KDB
PAff 916.60 kJ/mol NIST
BasG 890.10 kJ/mol NIST
Δcliquid [-4077.00; -4073.00] kJ/mol Show Hide
Δcliquid -4073.00 kJ/mol NIST
Δcliquid -4077.00 kJ/mol NIST
μ 1.70 debye KDB
Δf 199.30 kJ/mol KDB
Δfgas [83.90; 85.41] kJ/mol Show Hide
Δfgas 85.41 kJ/mol KDB
Δfgas 83.90 ± 6.30 kJ/mol NIST
Δfgas 85.40 kJ/mol NIST
Δfliquid [32.00; 33.40] kJ/mol Show Hide
Δfliquid 33.40 ± 7.50 kJ/mol NIST
Δfliquid 32.00 kJ/mol NIST
Δfus 13.03 kJ/mol Joback Calculated Property
Δvap [50.50; 53.40] kJ/mol Show Hide
Δvap 50.50 ± 4.20 kJ/mol NIST
Δvap 50.50 kJ/mol NIST
Δvap 53.10 kJ/mol NIST
Δvap 53.40 kJ/mol NIST
IE [7.30; 7.73] eV Show Hide
IE 7.32 ± 0.02 eV NIST
IE 7.38 ± 0.05 eV NIST
IE 7.30 eV NIST
IE 7.35 ± 0.02 eV NIST
IE 7.32 eV NIST
IE 7.30 ± 0.05 eV NIST
IE 7.34 ± 0.02 eV NIST
IE 7.53 eV NIST
IE Outlier 7.73 eV NIST
log10WS [-1.28; -1.28]   Show Hide
log10WS -1.28 Aq. Sol...
log10WS -1.28 Estimat...
logPoct/wat 1.728 Crippen Calculated Property
McVol 95.710 ml/mol McGowan Calculated Property
Pc [5197.97; 5200.00] kPa Show Hide
Pc 5200.00 kPa KDB
Pc 5197.97 ± 70.92 kPa NIST
Inp [1031.00; 1069.00]   Show Hide
Inp 1040.40 NIST
Inp 1052.20 NIST
Inp 1035.00 NIST
Inp 1056.00 NIST
Inp 1062.00 NIST
Inp 1056.00 NIST
Inp 1069.00 NIST
Inp 1041.00 NIST
Inp 1031.00 NIST
Inp 1041.00 NIST
Inp 1035.00 NIST
Inp 1062.00 NIST
I [1686.00; 1750.00]   Show Hide
I 1726.60 NIST
I 1747.00 NIST
I 1737.00 NIST
I 1746.00 NIST
I 1750.00 NIST
I 1719.80 NIST
I 1717.90 NIST
I 1746.00 NIST
I Outlier 1686.00 NIST
I 1711.00 NIST
I 1746.00 NIST
I 1726.60 NIST
I 1719.80 NIST
Tboil [464.90; 469.40] K Show Hide
Tboil 469.40 K KDB
Tboil 469.40 K NIST
Tboil 467.15 ± 0.40 K NIST
Tboil 469.40 ± 0.30 K NIST
Tboil 469.40 ± 0.25 K NIST
Tboil 469.40 ± 0.30 K NIST
Tboil 467.90 ± 0.60 K NIST
Tboil 469.25 ± 0.30 K NIST
Tboil 467.05 ± 0.50 K NIST
Tboil 469.25 ± 0.20 K NIST
Tboil Outlier 464.90 ± 1.00 K NIST
Tboil 468.90 ± 1.00 K NIST
Tboil 468.65 ± 0.50 K NIST
Tboil Outlier 465.15 ± 5.00 K NIST
Tc 701.00 K KDB
Tfus [216.00; 216.00] K Show Hide
Tfus 216.00 K KDB
Tfus 216.00 K NIST
Vc 0.354 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [177.91; 239.92] J/mol×K [436.41; 651.69] Show Hide
Cp,gas 177.91 J/mol×K 436.41 Joback Calculated Property
Cp,gas 189.97 J/mol×K 472.29 Joback Calculated Property
Cp,gas 201.30 J/mol×K 508.17 Joback Calculated Property
Cp,gas 211.93 J/mol×K 544.05 Joback Calculated Property
Cp,gas 221.89 J/mol×K 579.93 Joback Calculated Property
Cp,gas 231.21 J/mol×K 615.81 Joback Calculated Property
Cp,gas 239.92 J/mol×K 651.69 Joback Calculated Property
Cp,liquid [207.10; 230.10] J/mol×K [290.00; 323.15] Show Hide
Cp,liquid 230.10 J/mol×K 290.00 NIST
Cp,liquid 207.10 J/mol×K 298.00 NIST
Cp,liquid 207.12 J/mol×K 298.15 Density...
Cp,liquid 207.12 J/mol×K 298.15 Thermod...
Cp,liquid 210.92 J/mol×K 303.15 Thermod...
Cp,liquid 210.92 J/mol×K 303.15 Density...
Cp,liquid 214.73 J/mol×K 308.15 Density...
Cp,liquid 214.73 J/mol×K 308.15 Thermod...
Cp,liquid 218.53 J/mol×K 313.15 Density...
Cp,liquid 218.53 J/mol×K 313.15 Thermod...
Cp,liquid 222.37 J/mol×K 318.15 Thermod...
Cp,liquid 222.37 J/mol×K 318.15 Density...
Cp,liquid 225.88 J/mol×K 323.15 Thermod...
Cp,liquid 225.88 J/mol×K 323.15 Density...
ΔvapH [45.35; 53.60] kJ/mol [389.00; 466.60] Show Hide
ΔvapH 53.60 kJ/mol 389.00 NIST
ΔvapH 45.35 kJ/mol 466.60 NIST
Pvap 0.07 kPa 298.15 Thermod...
ρl [961.13; 989.00] kg/m3 [293.00; 323.15] Show Hide
ρl 989.00 kg/m3 293.00 KDB
ρl 986.44 kg/m3 293.15 Thermod...
ρl 986.20 kg/m3 293.15 Excess ...
ρl 982.24 kg/m3 298.15 Thermod...
ρl 982.40 kg/m3 298.15 Thermod...
ρl 982.20 kg/m3 298.15 Excess ...
ρl 982.24 kg/m3 298.15 Thermod...
ρl 982.49 kg/m3 298.15 Thermod...
ρl 978.54 kg/m3 303.15 Thermod...
ρl 978.20 kg/m3 303.15 Excess ...
ρl 981.72 kg/m3 303.15 Study o...
ρl 978.20 kg/m3 303.15 Compara...
ρl 973.53 kg/m3 308.15 Compara...
ρl 976.04 kg/m3 308.15 Study o...
ρl 974.20 kg/m3 308.15 Excess ...
ρl 969.92 kg/m3 313.15 Compara...
ρl 970.89 kg/m3 313.15 Study o...
ρl 965.81 kg/m3 318.15 Study o...
ρl 964.90 kg/m3 318.15 Compara...
ρl 961.13 kg/m3 323.15 Study o...
csound,fluid [1477.00; 1582.50] m/s [293.15; 323.15] Show Hide
csound,fluid 1582.50 m/s 293.15 Thermod...
csound,fluid 1563.90 m/s 298.15 Thermod...
csound,fluid 1548.00 m/s 303.15 Thermod...
csound,fluid 1546.00 m/s 303.15 Thermod...
csound,fluid 1548.00 m/s 303.15 Thermod...
csound,fluid 1512.00 m/s 313.15 Thermod...
csound,fluid 1512.00 m/s 313.15 Thermod...
csound,fluid 1477.00 m/s 323.15 Thermod...
csound,fluid 1477.00 m/s 323.15 Thermod...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [349.45; 495.97] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.59126e+01
Coefficient B-4.83070e+03
Coefficient C-4.02870e+01
Temperature range, min.349.45
Temperature range, max.495.97
Pvap 1.33 kPa 349.45 Calculated Property
Pvap 2.91 kPa 365.73 Calculated Property
Pvap 5.91 kPa 382.01 Calculated Property
Pvap 11.24 kPa 398.29 Calculated Property
Pvap 20.21 kPa 414.57 Calculated Property
Pvap 34.61 kPa 430.85 Calculated Property
Pvap 56.77 kPa 447.13 Calculated Property
Pvap 89.64 kPa 463.41 Calculated Property
Pvap 136.84 kPa 479.69 Calculated Property
Pvap 202.67 kPa 495.97 Calculated Property
Pvap [9.96e-06; 4869.06] kPa [216.15; 701.55] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.91078e+01
Coefficient B-9.00734e+03
Coefficient C-9.14371e+00
Coefficient D4.35509e-06
Temperature range, min.216.15
Temperature range, max.701.55
Pvap 9.96e-06 kPa 216.15 Calculated Property
Pvap 5.99e-03 kPa 270.08 Calculated Property
Pvap 0.34 kPa 324.02 Calculated Property
Pvap 5.11 kPa 377.95 Calculated Property
Pvap 35.83 kPa 431.88 Calculated Property
Pvap 153.49 kPa 485.82 Calculated Property
Pvap 475.58 kPa 539.75 Calculated Property
Pvap 1183.16 kPa 593.68 Calculated Property
Pvap 2529.93 kPa 647.62 Calculated Property
Pvap 4869.06 kPa 701.55 Calculated Property

Similar Compounds

Formamide, N-phenyl-. 2-Naphthalenamine, N-methyl-. Benzenamine, 4-chloro-N-methyl-. Benzenamine, 3-chloro-N-methyl-. N,N,N'-Trimethyl-1,4-phenylenediamine. N,N'-Diphenylmethylenediamine. Benzenamine, N-ethyl-. Benzenamine, N-methyl-4-nitro-. Benzenamine, 2-chloro-N-methyl-. Benzenamine, 4-methoxy-N-methyl-. Benzenamine, N,4-dimethyl-. 4-(N-Methylamino)biphenyl. 1,4-Benzenediamine, N,N'-diethyl-. N-Phenylglycine. 1,2-Benzenediamine, N,N,N'-trimethyl-.

Find more compounds similar to Aniline, N-methyl-.

Mixtures

Sources

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