Chemical Properties of Benzene, iodo- (CAS 591-50-4)

Benzene, iodo-

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InChI
InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
InChI Key
SNHMUERNLJLMHN-UHFFFAOYSA-N
Formula
C6H5I
SMILES
Ic1ccccc1
Molecular Weight1
204.01
CAS
591-50-4
Other Names
  • Benzene iodide
  • Iodobenzene
  • Phenyl iodide
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3192.80 ± 4.20 kJ/mol NIST
Δcliquid -3192.80 ± 4.20 kJ/mol NIST
Δf 170.17 kJ/mol Joback Calculated Property
Δfgas 165.00 ± 5.90 kJ/mol NIST
Δfliquid 117.00 ± 4.20 kJ/mol NIST
Δfus 9.74 kJ/mol Joback Calculated Property
Δvap 47.40 kJ/mol NIST
Δvap 48.90 kJ/mol NIST
Δvap 47.70 ± 4.20 kJ/mol NIST
IE [8.67; 9.05] eV Show Hide
IE 8.72 ± 0.04 eV NIST
IE 8.79 eV NIST
IE 8.75 eV NIST
IE 8.69 eV NIST
IE 8.79 eV NIST
IE 8.70 eV NIST
IE Outlier 9.05 eV NIST
IE 8.77 ± 0.02 eV NIST
IE 8.67 eV NIST
IE 8.73 ± 0.01 eV NIST
IE 8.69 eV NIST
IE 8.73 ± 0.03 eV NIST
IE 8.80 eV NIST
IE 8.67 eV NIST
logPoct/wat 2.29 Crippen Calculated Property
Pc 4534.68 kPa Joback Calculated Property
liquid 205.40 J/mol×K NIST
Tboil [460.85; 461.70] K Show Hide
Tboil 461.50 K NIST
Tboil 461.60 ± 0.30 K NIST
Tboil 461.70 ± 0.50 K NIST
Tboil 461.70 ± 0.50 K NIST
Tboil 461.15 ± 0.30 K NIST
Tboil 460.85 ± 0.50 K NIST
Tc 713.20 K Joback Calculated Property
Tfus 242.15 ± 1.00 K NIST
Tfus 241.90 ± 0.02 K NIST
Tfus 241.80 ± 0.30 K NIST
Ttriple 241.80 ± 0.25 K NIST
Vc 0.35 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 144.37 J/mol×K 456.5 Joback Calculated Property
Cp,liquid 158.70 J/mol×K 298.1 NIST
Cp,liquid 158.40 J/mol×K 298.15 NIST
Cp,solid 112.10 J/mol×K 226.1 NIST
η 0.00 Pa×s 456.5 Joback Calculated Property
ΔfusH 9.75 kJ/mol 241.8 NIST
ΔfusH 9.75 kJ/mol 241.8 NIST
ΔfusH 9.75 kJ/mol 241.83 NIST
ΔvapH [40.00; 51.40] kJ/mol [249.00; 570.50] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 43.10 kJ/mol 249.0 NIST
ΔvapH 40.00 kJ/mol 275.5 NIST
ΔvapH 51.40 kJ/mol 315.5 NIST
ΔvapH 46.00 kJ/mol 450.5 NIST
ΔvapH 41.10 kJ/mol 570.5 NIST
ΔfusS 40.31 J/mol×K 241.83 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-I 1
=CH- (ring) 5

Similar Compounds

Benzene, 1,4-diiodo-. 1,3-Diiodobenzene. 1,2-Diiodobenzene. Benzenamine, 4-iodo-. Phenol, 4-iodo-. Benzene, 1-fluoro-4-iodo-. Benzene, 1-iodo-4-methyl-. Benzene, 1-chloro-4-iodo-. Benzene, 1-bromo-4-iodo-. 3-I-C6H4NH2. Benzene, 1-iodo-3-methyl-. Phenol, 3-iodo-. Benzenamine, 2-iodo-. Benzene, 1-fluoro-3-iodo-. Benzene, 1-chloro-3-iodo-.

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