Chemical Properties of Benzene, methoxy- (CAS 100-66-3)

Benzene, methoxy-

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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
Sources

Physical Properties

Property Value Unit Source
PAff 839.60 kJ/mol NIST
BasG 807.20 kJ/mol NIST
Δcliquid -3783.12 kJ/mol NIST
Δcliquid -3778.00 ± 0.80 kJ/mol NIST
Δcliquid -3779.50 kJ/mol NIST
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 -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
logPoct/wat 1.695 Crippen 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
Tboil [426.15; 428.20] K Show Hide
Tboil 427.20 ± 0.50 K NIST
Tboil Outlier 428.20 K NIST
Tboil 427.00 K NIST
Tboil 426.80 K NIST
Tboil 427.05 ± 0.30 K NIST
Tboil 426.65 ± 0.40 K NIST
Tboil 426.90 ± 0.40 K NIST
Tboil 426.15 ± 1.50 K NIST
Tboil 426.90 ± 0.07 K NIST
Tboil 426.80 ± 0.50 K NIST
Tboil 426.64 ± 0.30 K NIST
Tboil 427.00 ± 0.25 K NIST
Tboil Outlier 428.15 ± 1.50 K NIST
Tboil 426.95 ± 0.25 K NIST
Tboil 427.00 ± 0.50 K NIST
Tboil 427.00 ± 0.50 K NIST
Tboil 427.00 ± 0.50 K NIST
Tboil 427.00 ± 0.40 K NIST
Tboil 426.95 ± 0.30 K NIST
Tc [641.50; 646.10] K Show Hide
Tc 646.10 ± 0.20 K NIST
Tc 644.10 K NIST
Tc 645.60 ± 1.00 K NIST
Tc 641.65 ± 2.00 K NIST
Tc 641.50 ± 2.00 K NIST
Tc 641.65 ± 1.50 K NIST
Tfus [235.65; 293.20] K Show Hide
Tfus 268.73 ± 0.01 K NIST
Tfus 235.75 ± 0.20 K NIST
Tfus 235.65 ± 0.40 K NIST
Tfus 235.77 ± 0.05 K NIST
Tfus 236.04 ± 0.40 K NIST
Tfus 235.95 ± 0.30 K NIST
Tfus 235.65 ± 0.40 K NIST
Tfus 235.95 ± 0.30 K NIST
Tfus Outlier 293.20 ± 1.00 K NIST
Vc 0.338 m3/kg-mol 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
Plot of Ideal gas heat capacity.
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 J/mol×K 297.2 NIST
Cp,liquid 199.00 J/mol×K 298.15 NIST
Cp,liquid 208.80 J/mol×K 304.8 NIST
η 0.0002098 Pa×s 408.66 Joback Calculated Property
ΔfusH 12.89 kJ/mol 236.0 NIST
ΔfusH 11.66 kJ/mol 237.0 NIST
ΔfusH 17.03 kJ/mol 293.2 NIST
ΔvapH [38.90; 42.90] kJ/mol [359.50; 427.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 39.00 kJ/mol 359.5 NIST
ΔvapH 42.90 ± 0.10 kJ/mol 367.0 NIST
ΔvapH 42.00 ± 0.10 kJ/mol 382.0 NIST
ΔvapH 40.50 ± 0.10 kJ/mol 402.0 NIST
ΔvapH 41.80 kJ/mol 405.5 NIST
ΔvapH 41.90 kJ/mol 409.5 NIST
ΔvapH 41.90 kJ/mol 409.5 NIST
ΔvapH 38.97 kJ/mol 426.8 NIST
ΔvapH 38.90 ± 0.10 kJ/mol 427.0 NIST
ΔfusS 58.10 J/mol×K 293.2 NIST

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
=C< (ring) 1
-CH3 1
=CH- (ring) 5

Similar Compounds

Anisonitrile. Mequinol. Benzene, 1,4-dimethoxy-. Formic acid phenyl ester. Vinylphenyl ether. Benzene, ethoxy-. Cyanic acid, phenyl ester. 3-Methoxyphenol. Flamenol. Benzene, 1,3-dimethoxy-. Phenol, 3,5-dimethoxy-. Benzene, 1,3,5-trimethoxy-. 4-Ethoxyphenol. (2-Propynyloxy)benzene. 2-Phenoxyethanol.

Find more compounds similar to Benzene, methoxy-.

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