Chemical Properties of Aniline (CAS 62-53-3)

Aniline

PDF Excel Molecule Calculator
InChI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChI Key
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
Formula
C6H7N
SMILES
Nc1ccccc1
Molecular Weight1
93.13
CAS
62-53-3
Other Names
  • Aminobenzene
  • Aminophen
  • Anilin
  • Anilina
  • Aniline Oil
  • Aniline reagent
  • Anyvim
  • Benzenamine
  • Benzene, amino-
  • Benzeneamine
  • Benzidam
  • Blue Oil
  • C.I. 76000
  • C.I. Oxidation base 1
  • Cyanol
  • Huile D'aniline
  • Krystallin
  • Kyanol
  • NCI-C03736
  • Phenylamine
  • Rcra waste number U012
  • UN 1547
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.

Physical Properties

Property Value Unit Source
ω 0.3840 KDB
PAff 882.50 kJ/mol NIST
Tig 1043.15 K KDB
BasG 850.60 kJ/mol NIST
Δcliquid [-3411.00; -3391.00] kJ/mol Show Hide
Δcliquid -3393.10 ± 1.00 kJ/mol NIST
Δcliquid -3392.00 kJ/mol NIST
Δcliquid -3392.30 kJ/mol NIST
Δcliquid -3391.00 ± 13.00 kJ/mol NIST
Δcliquid -3411.00 kJ/mol NIST
Δcsolid -3391.00 kJ/mol NIST
μ 1.60 debye KDB
LFL 1.30 % in Air KDB
Tflash,cc 348.71 K KDB
Tflash,oc 343.15 K KDB
Δf 166.80 kJ/mol KDB
Rg 3.3930 KDB
Δfgas [81.00; 87.03] kJ/mol Show Hide
Δfgas 86.92 kJ/mol KDB
Δfgas 87.03 ± 0.88 kJ/mol NIST
Δfgas 82.40 kJ/mol NIST
Δfgas 83.20 kJ/mol NIST
Δfgas 81.00 ± 3.00 kJ/mol NIST
Δfgas 85.40 kJ/mol NIST
Δfliquid [30.00; 33.00] kJ/mol Show Hide
Δfliquid 31.30 ± 0.84 kJ/mol NIST
Δfliquid 30.00 kJ/mol NIST
Δfliquid 30.80 kJ/mol NIST
Δfliquid 33.00 kJ/mol NIST
Δfus 10.53 kJ/mol Joback Calculated Property
Δvap 41.87 kJ/mol Joback Calculated Property
IE [7.48; 8.35] eV Show Hide
IE 7.72 ± 0.00 eV NIST
IE 7.74 ± 0.01 eV NIST
IE 7.72 ± 0.00 eV NIST
IE 7.72 ± 0.00 eV NIST
IE 7.48 eV NIST
IE 8.00 eV NIST
IE Outlier 8.27 ± 0.05 eV NIST
IE 7.80 eV NIST
IE Outlier 8.35 eV NIST
IE 7.71 ± 0.01 eV NIST
IE 7.65 ± 0.02 eV NIST
IE 7.60 ± 0.10 eV NIST
IE 7.71 eV NIST
IE 7.66 eV NIST
IE 7.63 eV NIST
IE 7.89 ± 0.03 eV NIST
IE 8.10 ± 0.10 eV NIST
IE 7.70 ± 0.01 eV NIST
IE 7.89 eV NIST
IE 7.61 ± 0.05 eV NIST
IE 7.68 eV NIST
IE 7.67 ± 0.03 eV NIST
IE 7.70 eV NIST
IE 7.70 ± 0.02 eV NIST
IE 7.69 ± 0.02 eV NIST
IE 8.05 eV NIST
IE 8.02 eV NIST
IE 8.04 eV NIST
IE 8.05 eV NIST
IE 8.03 eV NIST
IE 8.05 eV NIST
IE 8.10 eV NIST
IE 8.02 eV NIST
IE 8.05 eV NIST
log10WS [-0.41; -0.41]   Show Hide
log10WS -0.41 Aq. Sol...
log10WS -0.41 Estimat...
logPoct/wat 1.269 Crippen Calculated Property
McVol 81.620 ml/mol McGowan Calculated Property
NFPA Fire 2 KDB
NFPA Health 3 KDB
Pc [4890.00; 5319.56] kPa Show Hide
Pc Outlier 4890.00 kPa KDB
Pc 5310.00 ± 91.19 kPa NIST
Pc 5300.00 ± 91.19 kPa NIST
Pc 5299.30 ± 101.32 kPa NIST
Pc 5294.23 ± 1.00 kPa NIST
Pc 5304.36 ± 1.00 kPa NIST
Pc 5319.56 ± 101.32 kPa NIST
ρc 324.08 ± 4.66 kg/m3 NIST
Inp [155.33; 999.00]   Show Hide
Inp 939.10 NIST
Inp 952.60 NIST
Inp 966.00 NIST
Inp 967.00 NIST
Inp 968.00 NIST
Inp 968.00 NIST
Inp 939.00 NIST
Inp 983.00 NIST
Inp 995.00 NIST
Inp 995.00 NIST
Inp 999.00 NIST
Inp 939.20 NIST
Inp 980.00 NIST
Inp 945.60 NIST
Inp 955.00 NIST
Inp 971.00 NIST
Inp 979.00 NIST
Inp 977.00 NIST
Inp 955.00 NIST
Inp 954.00 NIST
Inp 947.00 NIST
Inp 950.00 NIST
Inp 952.00 NIST
Inp 958.00 NIST
Inp 964.00 NIST
Inp 947.00 NIST
Inp 946.00 NIST
Inp 945.00 NIST
Inp 946.00 NIST
Inp 963.00 NIST
Inp Outlier 155.33 NIST
Inp 963.00 NIST
Inp 979.00 NIST
Inp Outlier 155.33 NIST
Inp 939.20 NIST
I [1710.00; 1766.70]   Show Hide
I 1752.00 NIST
I 1764.50 NIST
I 1717.00 NIST
I 1754.00 NIST
I 1747.00 NIST
I 1759.00 NIST
I 1761.00 NIST
I 1766.70 NIST
I 1710.00 NIST
I 1740.00 NIST
I 1710.00 NIST
liquid [191.30; 191.60] J/mol×K Show Hide
liquid 191.30 J/mol×K NIST
liquid 191.60 J/mol×K NIST
Tboil [455.00; 458.00] K Show Hide
Tboil 457.32 K KDB
Tboil 457.70 ± 0.40 K NIST
Tboil 457.20 K NIST
Tboil 457.20 K NIST
Tboil 457.70 ± 0.50 K NIST
Tboil 457.10 ± 0.40 K NIST
Tboil 457.25 ± 0.30 K NIST
Tboil 457.40 ± 0.60 K NIST
Tboil 457.00 ± 0.30 K NIST
Tboil 457.70 ± 0.40 K NIST
Tboil 457.06 ± 0.15 K NIST
Tboil 457.60 ± 0.40 K NIST
Tboil 457.10 ± 9.20 K NIST
Tboil 457.30 ± 0.40 K NIST
Tboil 457.50 ± 0.40 K NIST
Tboil 457.10 ± 0.40 K NIST
Tboil 455.70 ± 2.00 K NIST
Tboil 457.50 ± 0.40 K NIST
Tboil 457.08 ± 0.07 K NIST
Tboil 457.50 ± 0.30 K NIST
Tboil 457.40 ± 0.60 K NIST
Tboil 457.50 ± 0.30 K NIST
Tboil 457.50 ± 0.30 K NIST
Tboil 457.82 ± 0.20 K NIST
Tboil 457.20 ± 0.30 K NIST
Tboil 457.60 ± 0.40 K NIST
Tboil 457.60 ± 0.30 K NIST
Tboil 457.50 ± 0.50 K NIST
Tboil Outlier 455.00 ± 1.00 K NIST
Tboil 457.50 ± 0.30 K NIST
Tboil 457.60 ± 0.40 K NIST
Tboil 457.50 ± 0.50 K NIST
Tboil 457.60 ± 0.40 K NIST
Tboil 457.70 ± 0.30 K NIST
Tboil 455.90 ± 0.30 K NIST
Tboil 456.00 ± 0.30 K NIST
Tboil 458.00 ± 0.10 K NIST
Tboil 457.00 ± 1.00 K NIST
Tboil 457.60 ± 0.30 K NIST
Tboil 457.60 ± 0.40 K NIST
Tboil 457.60 ± 0.40 K NIST
Tboil 457.60 ± 0.50 K NIST
Tboil 457.00 ± 1.50 K NIST
Tboil 456.00 ± 2.00 K NIST
Tboil Outlier 455.00 ± 1.50 K NIST
Tboil Outlier 455.00 ± 5.00 K NIST
Tboil Outlier 455.10 ± 11.11 K NIST
Tc 699.00 K KDB
Tfus [265.00; 279.33] K Show Hide
Tfus 267.13 K KDB
Tfus 267.00 K NIST
Tfus 267.65 ± 0.40 K NIST
Tfus 265.00 ± 1.00 K NIST
Tfus 267.11 ± 0.10 K NIST
Tfus 267.13 ± 0.07 K NIST
Tfus Outlier 279.25 ± 0.40 K NIST
Tfus 267.05 ± 0.30 K NIST
Tfus 267.20 ± 0.50 K NIST
Tfus 267.12 ± 0.10 K NIST
Tfus 267.15 ± 0.05 K NIST
Tfus 267.25 ± 0.50 K NIST
Tfus 267.00 ± 0.15 K NIST
Tfus 266.85 ± 0.05 K NIST
Tfus 267.05 ± 0.30 K NIST
Tfus 267.00 ± 1.50 K NIST
Tfus 267.10 ± 0.05 K NIST
Tfus 266.91 ± 0.10 K NIST
Tfus 266.65 ± 0.20 K NIST
Tfus 266.99 ± 0.20 K NIST
Tfus 266.95 ± 0.25 K NIST
Tfus Outlier 279.33 ± 0.30 K NIST
Tfus 266.95 ± 0.30 K NIST
Tfus 267.05 ± 0.20 K NIST
Tfus 265.00 ± 2.00 K NIST
Ttriple [266.90; 267.30] K Show Hide
Ttriple 267.13 ± 0.02 K NIST
Ttriple 267.30 ± 0.20 K NIST
Ttriple 266.90 ± 0.10 K NIST
Vc 0.287 m3/kmol KDB
Zc [0.2414780; 0.2600000]   Show Hide
Zc 0.2414780 KDB
Zc 0.2600000 ± 0.0030000 NIST
Zra 0.26 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [149.06; 202.11] J/mol×K [435.89; 666.01] Show Hide
Cp,gas 149.06 J/mol×K 435.89 Joback Calculated Property
Cp,gas 159.56 J/mol×K 474.24 Joback Calculated Property
Cp,gas 169.35 J/mol×K 512.60 Joback Calculated Property
Cp,gas 178.46 J/mol×K 550.95 Joback Calculated Property
Cp,gas 186.94 J/mol×K 589.30 Joback Calculated Property
Cp,gas 194.81 J/mol×K 627.66 Joback Calculated Property
Cp,gas 202.11 J/mol×K 666.01 Joback Calculated Property
Cp,liquid [109.20; 197.50] J/mol×K [267.30; 323.00] Show Hide
Cp,liquid 109.20 J/mol×K 267.30 NIST
Cp,liquid 183.70 J/mol×K 288.00 NIST
Cp,liquid 192.00 J/mol×K 293.00 NIST
Cp,liquid 193.70 J/mol×K 298.00 NIST
Cp,liquid 192.50 J/mol×K 298.00 NIST
Cp,liquid 194.10 J/mol×K 298.00 NIST
Cp,liquid 192.05 J/mol×K 298.15 NIST
Cp,liquid 191.01 J/mol×K 298.15 NIST
Cp,liquid 178.80 J/mol×K 298.15 NIST
Cp,liquid 190.92 J/mol×K 298.20 NIST
Cp,liquid 193.38 J/mol×K 298.20 NIST
Cp,liquid 197.50 J/mol×K 323.00 NIST
η [0.0019500; 0.0043800] Pa×s [293.15; 323.15] Show Hide
η 0.0043800 Pa×s 293.15 Thermod...
η 0.0036900 Pa×s 298.15 Excess ...
η 0.0032400 Pa×s 303.15 Thermod...
η 0.0031900 Pa×s 303.15 Excess ...
η 0.0028000 Pa×s 308.15 Excess ...
η 0.0024700 Pa×s 313.15 Thermod...
η 0.0024200 Pa×s 313.15 Excess ...
η 0.0019500 Pa×s 323.15 Thermod...
ΔfusH [10.54; 10.92] kJ/mol [266.80; 267.30] Show Hide
ΔfusH 10.56 kJ/mol 266.80 NIST
ΔfusH 10.54 kJ/mol 267.10 NIST
ΔfusH 10.54 kJ/mol 267.10 NIST
ΔfusH 10.54 kJ/mol 267.13 NIST
ΔfusH 10.92 kJ/mol 267.30 NIST
ΔvapH [41.84; 54.00] kJ/mol [293.00; 506.00] Show Hide
ΔvapH 52.90 kJ/mol 293.00 NIST
ΔvapH 52.20 kJ/mol 305.50 NIST
ΔvapH 53.00 kJ/mol 333.00 NIST
ΔvapH 51.40 kJ/mol 349.50 NIST
ΔvapH 54.00 kJ/mol 380.50 NIST
ΔvapH 53.60 kJ/mol 394.50 NIST
ΔvapH 48.60 kJ/mol 415.50 NIST
ΔvapH 48.00 ± 0.20 kJ/mol 424.50 NIST
ΔvapH 42.20 ± 0.40 kJ/mol 424.50 NIST
ΔvapH 45.20 ± 0.20 kJ/mol 424.50 NIST
ΔvapH 51.00 ± 0.20 kJ/mol 424.50 NIST
ΔvapH 42.44 kJ/mol 457.20 NIST
ΔvapH 41.84 kJ/mol 457.20 KDB
ΔvapH 46.30 kJ/mol 489.00 NIST
ΔvapH 45.80 kJ/mol 506.00 NIST
Pvap [0.09; 96.15] kPa [298.15; 455.40] Show Hide
Pvap 0.09 kPa 298.15 Thermod...
Pvap 0.88 kPa 333.15 An equi...
Pvap 3.82 kPa 363.15 An equi...
Pvap 85.00 kPa 450.25 Experim...
Pvap 96.15 kPa 455.40 Vapor L...
n0 [1.58360; 1.59620]   [293.15; 298.15] Show Hide
n0 1.59620 293.15 Vapor l...
n0 1.58620 293.15 Activit...
n0 1.58620 293.15 Ternary...
n0 1.58360 298.15 Activit...
ρl [987.00; 1026.10] kg/m3 [288.15; 333.15] Show Hide
ρl 1026.10 kg/m3 288.15 Excess ...
ρl 1025.93 kg/m3 288.15 Volumet...
ρl 1022.00 kg/m3 293.00 KDB
ρl 1021.69 kg/m3 293.15 Thermod...
ρl 1021.04 kg/m3 293.15 Volumet...
ρl 1021.70 kg/m3 293.15 Excess ...
ρl 1021.70 kg/m3 293.15 Studies...
ρl 1021.71 kg/m3 293.15 Densiti...
ρl 1021.70 kg/m3 293.15 Excess ...
ρl 1017.40 kg/m3 298.15 Studies...
ρl 1017.46 kg/m3 298.15 Thermod...
ρl 1017.50 kg/m3 298.15 Excess ...
ρl 1017.20 kg/m3 298.15 Thermod...
ρl 1017.39 kg/m3 298.15 Cloud P...
ρl 1017.30 kg/m3 298.15 Bubble ...
ρl 1017.10 kg/m3 298.15 Volumet...
ρl 1017.40 kg/m3 298.15 Excess ...
ρl 1017.38 kg/m3 298.15 Liquid-...
ρl 1017.42 kg/m3 298.15 Binary ...
ρl 1017.44 kg/m3 298.15 Densiti...
ρl 1017.10 kg/m3 298.15 Thermop...
ρl 1017.42 kg/m3 298.15 (Liquid...
ρl 1012.78 kg/m3 303.15 Study o...
ρl 1012.81 kg/m3 303.15 Compara...
ρl 1013.04 kg/m3 303.15 Thermod...
ρl 1012.70 kg/m3 303.15 Thermop...
ρl 1012.84 kg/m3 303.15 Volumet...
ρl 1013.00 kg/m3 303.15 Volumet...
ρl 1013.17 kg/m3 303.15 Densiti...
ρl 1013.20 kg/m3 303.15 Studies...
ρl 1013.10 kg/m3 303.15 Excess ...
ρl 1013.00 kg/m3 303.15 Excess ...
ρl 1008.64 kg/m3 308.15 Study o...
ρl 1008.91 kg/m3 308.15 Compara...
ρl 1008.90 kg/m3 308.15 Densiti...
ρl 1009.00 kg/m3 308.15 Studies...
ρl 1008.40 kg/m3 308.15 Thermop...
ρl 1008.70 kg/m3 308.15 Excess ...
ρl 1008.70 kg/m3 308.15 Excess ...
ρl 1008.70 kg/m3 308.15 Volumet...
ρl 1004.40 kg/m3 313.15 Excess ...
ρl 1004.63 kg/m3 313.15 Densiti...
ρl 1004.59 kg/m3 313.15 Compara...
ρl 1004.40 kg/m3 313.15 Volumet...
ρl 1004.70 kg/m3 313.15 Studies...
ρl 1004.10 kg/m3 313.15 Thermop...
ρl 1004.49 kg/m3 313.15 Study o...
ρl 1004.36 kg/m3 313.15 Thermod...
ρl 1000.36 kg/m3 318.15 Densiti...
ρl 999.70 kg/m3 318.15 Thermop...
ρl 1000.40 kg/m3 318.15 Studies...
ρl 1000.21 kg/m3 318.15 Compara...
ρl 1000.00 kg/m3 318.15 Excess ...
ρl 1000.36 kg/m3 318.15 Study o...
ρl 995.70 kg/m3 323.15 Excess ...
ρl 995.66 kg/m3 323.15 Thermod...
ρl 995.50 kg/m3 323.15 Studies...
ρl 995.40 kg/m3 323.15 Thermop...
ρl 996.43 kg/m3 323.15 Study o...
ρl 991.40 kg/m3 328.15 Excess ...
ρl 987.00 kg/m3 333.15 Excess ...
ΔfusS 39.57 J/mol×K 266.80 NIST
csound,fluid [1548.00; 1657.01] m/s [293.15; 323.15] Show Hide
csound,fluid 1657.01 m/s 293.15 Thermod...
csound,fluid 1637.80 m/s 298.15 Thermod...
csound,fluid 1615.00 m/s 303.15 Thermod...
csound,fluid 1619.30 m/s 303.15 Thermod...
csound,fluid 1615.00 m/s 303.15 Thermod...
csound,fluid 1583.00 m/s 313.15 Thermod...
csound,fluid 1581.00 m/s 313.15 Thermod...
csound,fluid 1558.00 m/s 323.15 Thermod...
csound,fluid 1548.00 m/s 323.15 Thermod...
γ 0.04 N/m 293.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [344.38; 484.57] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.48032e+01
Coefficient B-3.84464e+03
Coefficient C-7.95140e+01
Temperature range, min.344.38
Temperature range, max.484.57
Pvap 1.33 kPa 344.38 Calculated Property
Pvap 2.99 kPa 359.96 Calculated Property
Pvap 6.14 kPa 375.53 Calculated Property
Pvap 11.76 kPa 391.11 Calculated Property
Pvap 21.16 kPa 406.69 Calculated Property
Pvap 36.09 kPa 422.26 Calculated Property
Pvap 58.78 kPa 437.84 Calculated Property
Pvap 91.90 kPa 453.42 Calculated Property
Pvap 138.65 kPa 468.99 Calculated Property
Pvap 202.67 kPa 484.57 Calculated Property
Pvap [3.83e-03; 5226.64] kPa [267.13; 699.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.66081e+02
Coefficient B-1.30797e+04
Coefficient C-2.21132e+01
Coefficient D1.23327e-05
Temperature range, min.267.13
Temperature range, max.699.00
Pvap 3.83e-03 kPa 267.13 Calculated Property
Pvap 0.24 kPa 315.12 Calculated Property
Pvap 3.80 kPa 363.10 Calculated Property
Pvap 25.87 kPa 411.09 Calculated Property
Pvap 104.85 kPa 459.07 Calculated Property
Pvap 305.57 kPa 507.06 Calculated Property
Pvap 721.50 kPa 555.04 Calculated Property
Pvap 1492.58 kPa 603.03 Calculated Property
Pvap 2852.67 kPa 651.01 Calculated Property
Pvap 5226.64 kPa 699.00 Calculated Property

Similar Compounds

Benzen-d5-amine. Anilino radical. 1,4-Benzenediamine. 1,3-Phenylenediamine. 1,2-Benzenediamine. Benzenamine, 4-iodo-. 2-Naphthalenamine. p-Fluoroaniline. Benzenamine, 4-bromo-. m-Chloroaniline. p-Chloroaniline. 2-Anthracenamine. 2-Aminochrysene. 2-Aminophenanthrene. Benzenamine, 3-iodo-.

Find more compounds similar to Aniline.

Mixtures

Find more mixtures with Aniline.

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.