Chemical Properties of Hexane, 1-bromo- (CAS 111-25-1)

Hexane, 1-bromo-

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InChI
InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
InChI Key
MNDIARAMWBIKFW-UHFFFAOYSA-N
Formula
C6H13Br
SMILES
CCCCCCBr
Molecular Weight1
165.07
CAS
111-25-1
Other Names
  • 1-Bromohexane
  • 1-Hexyl bromide
  • Bromohexane
  • Hexyl bromide
  • n-Hexyl bromide
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4024.60 ± 1.60 kJ/mol NIST
Δf 13.96 kJ/mol Joback Calculated Property
Δfgas -150.10 ± 2.10 kJ/mol NIST
Δfliquid -194.50 ± 1.60 kJ/mol NIST
Δfus 16.58 kJ/mol Joback Calculated Property
Δvap [45.50; 46.12] kJ/mol Show Hide
Δvap 45.91 kJ/mol NIST
Δvap 45.50 kJ/mol NIST
Δvap 46.10 ± 0.10 kJ/mol NIST
Δvap 46.12 ± 0.10 kJ/mol NIST
Δvap 45.60 ± 0.10 kJ/mol NIST
Δvap 45.60 ± 0.10 kJ/mol NIST
IE 9.91 eV NIST
IE 10.06 ± 0.05 eV NIST
logPoct/wat 2.96 Crippen Calculated Property
Pc 3360.64 kPa Joback Calculated Property
liquid 452.92 J/mol×K NIST
Tboil [428.00; 430.00] K Show Hide
Tboil 429.00 ± 2.00 K NIST
Tboil 428.50 K NIST
Tboil 428.00 K NIST
Tboil 430.00 ± 0.25 K NIST
Tc 586.57 K Joback Calculated Property
Tfus 188.45 ± 0.60 K NIST
Tfus 188.10 ± 0.20 K NIST
Vc 0.43 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 197.64 J/mol×K 402.84 Joback Calculated Property
Cp,liquid 219.70 J/mol×K 298.15 NIST
Cp,liquid 203.55 J/mol×K 298.8 NIST
η 0.00 Pa×s 402.84 Joback Calculated Property
ΔfusH 18.05 kJ/mol 188.1 NIST
ΔfusH 18.05 kJ/mol 188.1 NIST
ΔfusH 18.05 kJ/mol 188.1 NIST
ΔvapH 43.20 kJ/mol 394.5 NIST
ΔfusS 95.98 J/mol×K 188.1 NIST
ΔfusS 95.98 J/mol×K 188.1 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 5
-CH3 1
-Br 1

Similar Compounds

Hexane, 1,6-dibromo-. Heptane, 1-bromo-. Heptane, 1,7-dibromo-. Pentane, 1-bromo-. Dodecane, 1,12-dibromo-. Dodecane, 1-bromo-. Undecane, 1-bromo-. Decane, 1,10-dibromo-. Tetracosane, 1-bromo-. 1-Bromoeicosane. Decane, 1-bromo-. Pentacosane, 1-bromo-. PENTATRIACONTANE, 1-BROMO-. Octane, 1,8-dibromo-. Nonane, 1-bromo-.

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