Chemical Properties of Heptane, 1-bromo- (CAS 629-04-9)

Heptane, 1-bromo-

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InChI
InChI=1S/C7H15Br/c1-2-3-4-5-6-7-8/h2-7H2,1H3
InChI Key
LSXKDWGTSHCFPP-UHFFFAOYSA-N
Formula
C7H15Br
SMILES
CCCCCCCBr
Molecular Weight1
179.10
CAS
629-04-9
Other Names
  • 1-Bromoheptane
  • Heptyl bromide
  • n-Heptyl bromide
Sources

Physical Properties

Property Value Unit Source
Δcliquid -4679.90 ± 1.60 kJ/mol NIST
Δf 22.38 kJ/mol Joback Calculated Property
Δfgas -170.20 ± 2.20 kJ/mol NIST
Δfliquid -218.60 ± 1.60 kJ/mol NIST
Δfus 19.17 kJ/mol Joback Calculated Property
Δvap [50.20; 50.80] kJ/mol Show Hide
Δvap 50.61 kJ/mol NIST
Δvap 50.20 kJ/mol NIST
Δvap 50.80 ± 0.10 kJ/mol NIST
Δvap 50.79 ± 0.10 kJ/mol NIST
Δvap 50.40 ± 0.20 kJ/mol NIST
Δvap 50.40 ± 0.20 kJ/mol NIST
IE 9.81 eV NIST
logPoct/wat 3.35 Crippen Calculated Property
Pc 3015.64 kPa Joback Calculated Property
Tboil 453.20 K NIST
Tboil 453.00 K NIST
Tboil 451.70 K NIST
Tc 608.13 K Joback Calculated Property
Tfus 214.90 ± 0.40 K NIST
Tfus 217.10 ± 0.25 K NIST
Tfus 214.40 ± 0.30 K NIST
Vc 0.49 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 236.26 J/mol×K 425.72 Joback Calculated Property
Cp,liquid 247.90 J/mol×K 298.15 NIST
η 0.00 Pa×s 425.72 Joback Calculated Property
ΔfusH 21.76 kJ/mol 214.4 NIST
ΔfusH 21.76 kJ/mol 214.4 NIST
ΔvapH 47.50 kJ/mol 408.0 NIST
ΔvapH 47.00 kJ/mol 411.0 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 6
-CH3 1
-Br 1

Similar Compounds

Heptane, 1,7-dibromo-. Dodecane, 1-bromo-. Tetradecane, 1-bromo-. Octadecane, 1-bromo-. Decane, 1,10-dibromo-. Octane, 1,8-dibromo-. Tetracosane, 1-bromo-. 1,16-Dibromohexadecane. Triacontane, 1-bromo-. Octane, 1-bromo-. PENTATRIACONTANE, 1-BROMO-. Dodecane, 1,12-dibromo-. 1-Bromohexadecane. 1,11-Dibromoundecane. Heptadecane, 1-bromo-.

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