Chemical Properties of Anisole (CAS 100-66-3)

Anisole

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InChI
InChI=1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChI Key
RDOXTESZEPMUJZ-UHFFFAOYSA-N
Formula
C7H8O
SMILES
COc1ccccc1
Molecular Weight1
108.14
CAS
100-66-3
Other Names
  • Anisol
  • Anizol
  • Benzene, methoxy-
  • Ether, methyl phenyl-
  • Methoxybenzene
  • Methyl phenyl ether
  • NSC 7920
  • Phenoxymethane
  • Phenyl methyl ether
  • UN 2222
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Physical Properties

Property Value Unit Source
PAff 839.60 kJ/mol NIST
BasG 807.20 kJ/mol NIST
Δcliquid [-3783.12; -3778.00] kJ/mol Show Hide
Δcliquid -3783.12 kJ/mol NIST
Δcliquid -3778.00 ± 0.80 kJ/mol NIST
Δcliquid -3779.50 kJ/mol NIST
Cp,liquid 191.54 J/mol×K Thermod...
Δf 15.47 kJ/mol Joback Calculated Property
Δfgas [-76.69; -67.90] kJ/mol Show Hide
Δfgas -67.90 ± 1.20 kJ/mol NIST
Δfgas -76.69 ± 0.92 kJ/mol NIST
Δfgas -70.70 kJ/mol NIST
Δfgas -75.10 kJ/mol NIST
Δfliquid [-120.00; -114.80] kJ/mol Show Hide
Δfliquid -114.80 ± 1.20 kJ/mol NIST
Δfliquid -120.00 ± 0.80 kJ/mol NIST
Δfliquid -118.40 kJ/mol NIST
Δfus 9.12 kJ/mol Joback Calculated Property
Δvap [38.00; 46.91] kJ/mol Show Hide
Δvap 46.91 kJ/mol NIST
Δvap 44.30 kJ/mol NIST
Δvap 46.60 ± 0.20 kJ/mol NIST
Δvap 45.30 kJ/mol NIST
Δvap 46.90 kJ/mol NIST
Δvap 46.84 ± 0.22 kJ/mol NIST
Δvap 46.90 kJ/mol NIST
Δvap 46.80 ± 0.20 kJ/mol NIST
Δvap 38.00 ± 0.40 kJ/mol NIST
Δvap 43.30 kJ/mol NIST
Δvap 38.20 ± 0.40 kJ/mol NIST
Δvap 39.40 kJ/mol NIST
Δvap 39.40 kJ/mol NIST
IE [8.10; 8.80] eV Show Hide
IE 8.20 ± 0.05 eV NIST
IE 8.25 ± 0.03 eV NIST
IE 8.10 eV NIST
IE 8.24 eV NIST
IE 8.60 eV NIST
IE 8.20 ± 0.02 eV NIST
IE 8.37 eV NIST
IE 8.30 ± 0.10 eV NIST
IE 8.20 eV NIST
IE 8.18 eV NIST
IE Outlier 8.80 ± 0.10 eV NIST
IE 8.40 ± 0.10 eV NIST
IE 8.21 eV NIST
IE 8.60 eV NIST
IE 8.22 ± 0.02 eV NIST
IE 8.20 ± 0.02 eV NIST
IE 8.39 eV NIST
IE 8.45 eV NIST
IE 8.42 eV NIST
IE 8.25 eV NIST
IE 8.39 eV NIST
IE 8.46 eV NIST
IE 8.42 eV NIST
log10WS [-1.85; -1.85]   Show Hide
log10WS -1.85 Aq. Sol...
log10WS -1.85 Estimat...
logPoct/wat 1.695 Crippen Calculated Property
McVol 91.600 ml/mol McGowan Calculated Property
Pc [4174.59; 4250.00] kPa Show Hide
Pc 4222.00 ± 20.00 kPa NIST
Pc 4250.00 ± 100.00 kPa NIST
Pc 4179.66 ± 202.65 kPa NIST
Pc 4180.00 ± 60.79 kPa NIST
Pc 4174.59 ± 101.32 kPa NIST
Pc 4184.72 ± 101.32 kPa NIST
ρc 316.84 ± 9.95 kg/m3 NIST
Inp [880.00; 956.00]   Show Hide
Inp 891.69 NIST
Inp 893.73 NIST
Inp 895.86 NIST
Inp 897.86 NIST
Inp 900.00 NIST
Inp 902.32 NIST
Inp 904.91 NIST
Inp 907.48 NIST
Inp 909.99 NIST
Inp 912.78 NIST
Inp 889.68 NIST
Inp 909.00 NIST
Inp 901.90 NIST
Inp 903.80 NIST
Inp 908.80 NIST
Inp 898.10 NIST
Inp 901.00 NIST
Inp 910.10 NIST
Inp 909.40 NIST
Inp 911.00 NIST
Inp 928.00 NIST
Inp 928.00 NIST
Inp 927.00 NIST
Inp 887.00 NIST
Inp Outlier 880.00 NIST
Inp 900.00 NIST
Inp 927.00 NIST
Inp 915.00 NIST
Inp 916.00 NIST
Inp 919.00 NIST
Inp 935.00 NIST
Inp Outlier 940.00 NIST
Inp 913.00 NIST
Inp 930.00 NIST
Inp 930.00 NIST
Inp 923.60 NIST
Inp 920.00 NIST
Inp 898.40 NIST
Inp 918.00 NIST
Inp 915.00 NIST
Inp 923.00 NIST
Inp 900.30 NIST
Inp 893.90 NIST
Inp 908.00 NIST
Inp 907.00 NIST
Inp 906.00 NIST
Inp 902.00 NIST
Inp Outlier 956.00 NIST
Inp 918.00 NIST
Inp 921.00 NIST
Inp 920.00 NIST
Inp 918.00 NIST
Inp 918.00 NIST
Inp 900.00 NIST
Inp 900.00 NIST
Inp 920.00 NIST
Inp 922.00 NIST
Inp 925.00 NIST
Inp 910.00 NIST
Inp 900.00 NIST
Inp 923.00 NIST
Inp 900.00 NIST
Inp 896.00 NIST
Inp 900.00 NIST
Inp 893.00 NIST
Inp 900.00 NIST
Inp 916.00 NIST
Inp 918.00 NIST
Inp 900.00 NIST
I [1306.00; 1398.00]   Show Hide
I 1340.00 NIST
I 1375.00 NIST
I 1373.00 NIST
I 1331.00 NIST
I 1368.60 NIST
I 1368.60 NIST
I Outlier 1394.00 NIST
I Outlier 1398.00 NIST
I 1325.00 NIST
I 1354.00 NIST
I 1355.40 NIST
I 1345.60 NIST
I 1356.80 NIST
I 1353.80 NIST
I 1348.20 NIST
I 1351.00 NIST
I 1348.00 NIST
I 1350.90 NIST
I 1349.00 NIST
I 1342.00 NIST
I 1344.00 NIST
I 1341.00 NIST
I 1355.00 NIST
I 1355.00 NIST
I 1355.00 NIST
I 1310.00 NIST
I 1327.00 NIST
I 1327.00 NIST
I 1336.00 NIST
I 1327.00 NIST
I 1358.00 NIST
I 1327.00 NIST
I Outlier 1306.00 NIST
I 1340.00 NIST
I 1327.00 NIST
I 1330.00 NIST
I 1341.00 NIST
I 1340.00 NIST
I 1368.60 NIST
Tboil [426.56; 426.77] K Show Hide
Tboil 426.56 K Isobari...
Tboil 426.69 K Isobari...
Tboil 426.77 K Vapor-L...
Tc 619.41 K Joback Calculated Property
Tfus [235.20; 236.03] K Show Hide
Tfus 236.03 K Aq. Sol...
Tfus 235.20 K The sol...
Vc 0.338 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [162.46; 195.94] J/mol×K [388.15; 498.15] Show Hide
Cp,gas 162.46 J/mol×K 388.15 NIST
Cp,gas 168.82 J/mol×K 408.15 NIST
Cp,gas 176.98 J/mol×K 433.15 NIST
Cp,gas 183.05 J/mol×K 453.15 NIST
Cp,gas 188.99 J/mol×K 473.15 NIST
Cp,gas 195.94 J/mol×K 498.15 NIST
Cp,liquid [191.20; 208.80] J/mol×K [297.20; 304.80] Show Hide
Cp,liquid 191.20 J/mol×K 297.20 NIST
Cp,liquid 199.00 J/mol×K 298.15 NIST
Cp,liquid 208.80 J/mol×K 304.80 NIST
η [0.0009310; 0.0011880] Pa×s [288.15; 303.15] Show Hide
η 0.0011880 Pa×s 288.15 Viscosi...
η 0.0010840 Pa×s 293.15 Viscosi...
η 0.0010170 Pa×s 298.15 Viscosi...
η 0.0009310 Pa×s 303.15 Viscosi...
ΔfusH [11.66; 17.03] kJ/mol [236.00; 293.20] Show Hide
ΔfusH 12.89 kJ/mol 236.00 NIST
ΔfusH 11.66 kJ/mol 237.00 NIST
ΔfusH 17.03 kJ/mol 293.20 NIST
ΔvapH [38.90; 42.90] kJ/mol [359.50; 427.00] Show Hide
ΔvapH 39.00 kJ/mol 359.50 NIST
ΔvapH 42.90 ± 0.10 kJ/mol 367.00 NIST
ΔvapH 42.00 ± 0.10 kJ/mol 382.00 NIST
ΔvapH 40.50 ± 0.10 kJ/mol 402.00 NIST
ΔvapH 41.80 kJ/mol 405.50 NIST
ΔvapH 41.90 kJ/mol 409.50 NIST
ΔvapH 41.90 kJ/mol 409.50 NIST
ΔvapH 38.97 kJ/mol 426.80 NIST
ΔvapH 38.90 ± 0.10 kJ/mol 427.00 NIST
Pvap [0.12; 96.15] kPa [278.30; 424.79] Show Hide
Pvap 0.12 kPa 278.30 Thermod...
Pvap 0.15 kPa 281.30 Thermod...
Pvap 0.19 kPa 284.30 Thermod...
Pvap 0.23 kPa 287.30 Thermod...
Pvap 0.29 kPa 290.30 Thermod...
Pvap 0.35 kPa 293.30 Thermod...
Pvap 0.41 kPa 296.30 Thermod...
Pvap 0.50 kPa 298.60 Thermod...
Pvap 0.50 kPa 298.60 Thermod...
Pvap 0.52 kPa 299.30 Thermod...
Pvap 0.61 kPa 302.20 Thermod...
Pvap 0.67 kPa 303.60 Thermod...
Pvap 0.67 kPa 303.60 Thermod...
Pvap 0.77 kPa 306.20 Thermod...
Pvap 0.89 kPa 308.60 Thermod...
Pvap 0.89 kPa 308.60 Thermod...
Pvap 0.93 kPa 309.20 Thermod...
Pvap 1.11 kPa 312.30 Thermod...
Pvap 1.40 kPa 313.20 Isother...
Pvap 1.18 kPa 313.60 Thermod...
Pvap 1.18 kPa 313.60 Thermod...
Pvap 1.54 kPa 318.60 Thermod...
Pvap 1.54 kPa 318.60 Thermod...
Pvap 2.00 kPa 323.60 Thermod...
Pvap 93.13 kPa 423.38 Refract...
Pvap 96.15 kPa 424.55 Vapor L...
Pvap 96.15 kPa 424.61 Vapor L...
Pvap 96.15 kPa 424.79 Vapor L...
n0 [1.50341; 1.52560]   [288.15; 318.15] Show Hide
n0 1.52560 288.15 Excess ...
n0 1.51710 293.13 Isobari...
n0 1.51770 293.15 Densiti...
n0 1.51610 293.15 Physica...
n0 1.51690 293.15 Excess ...
n0 1.51710 293.15 Isobari...
n0 1.51720 293.15 Excess ...
n0 1.51495 298.15 Densiti...
n0 1.51360 298.15 Excess ...
n0 1.51410 298.15 Physica...
n0 1.51410 298.15 Excess ...
n0 1.51530 298.15 Enthalp...
n0 1.51370 298.15 Thermod...
n0 1.51480 298.15 Density...
n0 1.51554 298.15 Isobari...
n0 1.51420 298.15 (Vapor ...
n0 1.51460 298.15 Volumet...
n0 1.51420 298.15 (Vapor ...
n0 1.51191 303.15 Volumet...
n0 1.51290 303.15 Physica...
n0 1.51395 303.15 Densiti...
n0 1.51120 303.15 Excess ...
n0 1.51130 303.15 Thermod...
n0 1.51240 303.15 Density...
n0 1.51240 303.15 Densiti...
n0 1.51170 303.15 Excess ...
n0 1.50950 308.15 Enthalp...
n0 1.50880 308.15 Excess ...
n0 1.50920 308.15 Density...
n0 1.50880 308.15 Thermod...
n0 1.51095 308.15 Densiti...
n0 1.50865 308.15 Volumet...
n0 1.50604 313.15 Volumet...
n0 1.50341 318.15 Volumet...
ρl [965.73; 1003.30] kg/m3 [283.15; 323.15] Show Hide
ρl 1003.30 kg/m3 283.15 The den...
ρl 996.56 kg/m3 288.15 Solid-l...
ρl 998.62 kg/m3 288.15 The den...
ρl 991.95 kg/m3 293.15 Solid-l...
ρl 994.01 kg/m3 293.15 The den...
ρl 989.09 kg/m3 298.15 Solid-l...
ρl 989.42 kg/m3 298.15 Solid-l...
ρl 989.32 kg/m3 298.15 The phy...
ρl 989.32 kg/m3 298.15 The den...
ρl 989.42 kg/m3 298.15 Ternary...
ρl 988.90 kg/m3 298.15 Intermo...
ρl 993.60 kg/m3 298.15 Densiti...
ρl 989.13 kg/m3 298.15 Liquid-...
ρl 989.13 kg/m3 298.15 Binary ...
ρl 989.42 kg/m3 298.15 Liquid ...
ρl 989.40 kg/m3 303.15 Densiti...
ρl 983.04 kg/m3 303.15 Solid-l...
ρl 984.59 kg/m3 303.15 The den...
ρl 984.40 kg/m3 303.15 Density...
ρl 979.80 kg/m3 308.15 Density...
ρl 979.50 kg/m3 308.15 Intermo...
ρl 984.60 kg/m3 308.15 Densiti...
ρl 978.34 kg/m3 308.15 Solid-l...
ρl 980.04 kg/m3 308.15 The phy...
ρl 975.25 kg/m3 313.15 The phy...
ρl 975.00 kg/m3 313.15 Density...
ρl 973.62 kg/m3 313.15 Solid-l...
ρl 980.00 kg/m3 313.15 Densiti...
ρl 969.99 kg/m3 318.15 Solid-l...
ρl 970.52 kg/m3 318.15 The phy...
ρl 970.50 kg/m3 318.15 Intermo...
ρl 965.73 kg/m3 323.15 The phy...
ΔfusS 58.10 J/mol×K 293.20 NIST

Datasets

Mass density, kg/m3

Fixed Measured
Temperature, K - Liquid Pressure, kPa - Liquid Mass density, kg/m3 - Liquid
298.15 100.00 989.2
298.15 10000.00 995.6
298.15 15000.00 998.5
298.15 20000.00 1001.4
298.15 25000.00 1004.1
298.15 30000.00 1006.9
298.15 35000.00 1009.7
298.15 40000.00 1012.5
298.15 45000.00 1015.2
298.15 50000.00 1017.5
318.15 100.00 969.9
318.15 10000.00 977.3
318.15 15000.00 980.4
318.15 20000.00 983.6
318.15 25000.00 986.9
318.15 30000.00 989.8
318.15 35000.00 992.9
318.15 40000.00 995.7
318.15 45000.00 998.6
318.15 50000.00 1001.5
348.15 100.00 941.3
348.15 10000.00 949.8
348.15 15000.00 953.5
348.15 20000.00 957.3
348.15 25000.00 961.1
348.15 30000.00 964.5
348.15 35000.00 967.9
348.15 40000.00 971.0
348.15 45000.00 974.5
348.15 50000.00 977.8
Reference

Similar Compounds

1,4-dimethoxybenzene. 1,3-dimethoxybenzene. Formic acid phenyl ester. Benzene, 1,2-dimethoxy-. Naphthalene, 2-methoxy-. m-Guaiacol. Cyanic acid, phenyl ester. (2-Propynyloxy)benzene. Mequinol. Naphthalene, 2,6-dimethoxy-. p-Iodoanisole. Naphthalene, 2,7-dimethoxy-. Benzene, ethoxy-. Benzene, 1-chloro-4-methoxy-. Benzene, (ethenyloxy)-.

Find more compounds similar to Anisole.

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.