Chemical Properties of Octane, 1-bromo- (CAS 111-83-1)

Octane, 1-bromo-

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InChI
InChI=1S/C8H17Br/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChI Key
VMKOFRJSULQZRM-UHFFFAOYSA-N
Formula
C8H17Br
SMILES
CCCCCCCCBr
Molecular Weight1
193.12
CAS
111-83-1
Other Names
  • 1-Bromooctane
  • 1-Octylbromide
  • Octyl bromide
  • n-Octyl bromide
Sources

Physical Properties

Property Value Unit Source
Δcliquid -5332.60 ± 2.30 kJ/mol NIST
Δf 30.80 kJ/mol Joback Calculated Property
Δfgas -190.10 ± 2.30 kJ/mol NIST
Δfliquid -245.20 ± 2.30 kJ/mol NIST
Δfus 21.76 kJ/mol Joback Calculated Property
Δvap [55.10; 55.80] kJ/mol Show Hide
Δvap 55.77 kJ/mol NIST
Δvap 55.10 kJ/mol NIST
Δvap 55.77 ± 0.25 kJ/mol NIST
Δvap 55.80 ± 0.10 kJ/mol NIST
IE 9.71 eV NIST
IE 9.54 ± 0.05 eV NIST
logPoct/wat 3.74 Crippen Calculated Property
Pc 2721.17 kPa Joback Calculated Property
Tboil [471.00; 474.00] K Show Hide
Tboil 474.00 K NIST
Tboil 474.00 K NIST
Tboil 474.00 K NIST
Tboil 474.00 ± 6.00 K NIST
Tboil 471.00 ± 5.00 K NIST
Tc 629.52 K Joback Calculated Property
Tfus 218.20 ± 0.20 K NIST
Vc 0.55 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 277.10 J/mol×K 448.6 Joback Calculated Property
η 0.00 Pa×s 448.6 Joback Calculated Property
ΔfusH 24.69 kJ/mol 218.2 NIST
ΔfusH 24.69 kJ/mol 218.2 NIST
ΔvapH 49.30 kJ/mol 424.0 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 7
-CH3 1
-Br 1

Similar Compounds

1,16-Dibromohexadecane. Tetracosane, 1-bromo-. Decane, 1,10-dibromo-. NONADECANE, 1-BROMO-. 1-Bromohexadecane. 1-Bromodocosane. Tetradecane, 1-bromo-. Octane, 1,8-dibromo-. Tridecane, 1-bromo-. 1-Bromoeicosane. 1,11-Dibromoundecane. Nonane, 1-bromo-. Triacontane, 1-bromo-. Octadecane, 1-bromo-. Decane, 1-bromo-.

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