Chemical Properties of Tert-butyl iodide (CAS 558-17-8)

Tert-butyl iodide

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InChI
InChI=1S/C4H9I/c1-4(2,3)5/h1-3H3
InChI Key
ANGGPYSFTXVERY-UHFFFAOYSA-N
Formula
C4H9I
SMILES
CC(C)(C)I
Molecular Weight1
184.02
CAS
558-17-8
Other Names
  • 2-Iodo-2-methylpropane
  • Propane, 2-iodo-2-methyl-
  • Trimethyliodomethane
  • tert-C4H9I
Sources

Physical Properties

Property Value Unit Source
Δf 43.76 kJ/mol Joback Calculated Property
Δfgas -72.00 ± 1.00 kJ/mol NIST
Δfus 3.11 kJ/mol Joback Calculated Property
Δvap [35.40; 37.00] kJ/mol Show Hide
Δvap 35.50 kJ/mol NIST
Δvap 37.00 kJ/mol NIST
Δvap 35.40 ± 0.10 kJ/mol NIST
Δvap 35.41 ± 0.06 kJ/mol NIST
IE [8.98; 9.09] eV Show Hide
IE 8.98 ± 0.01 eV NIST
IE 8.98 eV NIST
IE 9.09 eV NIST
IE 9.02 ± 0.01 eV NIST
IE 9.02 ± 0.03 eV NIST
IE 9.04 eV NIST
logPoct/wat 2.22 Crippen Calculated Property
Pc 3881.95 kPa Joback Calculated Property
Tboil [372.00; 373.20] K Show Hide
Tboil 373.20 K NIST
Tboil 372.00 K NIST
Tboil 373.20 K NIST
Tboil 372.00 ± 2.00 K NIST
Tc 599.98 K Joback Calculated Property
Tfus 239.50 ± 0.30 K NIST
Vc 0.34 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 138.77 J/mol×K 380.83 Joback Calculated Property
η 0.00 Pa×s 380.83 Joback Calculated Property
ΔsubH 49.80 kJ/mol 212.5 NIST
ΔvapH 33.10 kJ/mol 243.0 NIST
ΔvapH 34.80 kJ/mol 265.0 NIST
ΔvapH 31.43 kJ/mol 373.2 NIST

Molecular Descriptors

Joback and Reid Groups
-I 1
-CH3 3
>C< 1

Similar Compounds

Propane, 2-iodo-. Butane, 2-iodo-2-methyl. Propane, 1-iodo-2-methyl-. Butane, 2-iodo-, (.+/-.)-. Butane, 2-iodo-. Propane, 1-iodo-. Butane, 2-iodo-3-methyl-. Propane, 1-iodo-2,2-dimethyl-. Propane, 1,3-diiodo-. Pentane, 3-iodo-3-methyl. Butane, 2-iodo-2,3-dimethyl-. C8H18Cl2Sn. Iodoethane. i-C4H9. Isobutyl radical.

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