Chemical Properties of Hexadecane (CAS 544-76-3)

Hexadecane

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InChI
InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChI Key
DCAYPVUWAIABOU-UHFFFAOYSA-N
Formula
C16H34
SMILES
CCCCCCCCCCCCCCCC
Molecular Weight1
226.44
CAS
544-76-3
Other Names
  • Cetane
  • n-Cetane
  • n-Hexadecane
Sources

Physical Properties

Property Value Unit Source
Δcliquid -10699.10 ± 1.80 kJ/mol NIST
Δcliquid -10699.10 ± 4.10 kJ/mol NIST
Δf 83.84 kJ/mol Joback Calculated Property
Δfgas -374.90 kJ/mol NIST
Δfgas -374.70 kJ/mol NIST
Δfliquid -456.30 ± 2.00 kJ/mol NIST
Δfliquid -456.10 ± 4.10 kJ/mol NIST
Δfus 37.20 kJ/mol Joback Calculated Property
Δsub 135.10 kJ/mol NIST
Δvap [80.60; 81.80] kJ/mol Show Hide
Δvap 81.38 kJ/mol NIST
Δvap 81.80 ± 1.30 kJ/mol NIST
Δvap 81.40 kJ/mol NIST
Δvap 81.40 kJ/mol NIST
Δvap 81.20 kJ/mol NIST
Δvap 81.40 kJ/mol NIST
Δvap 81.40 ± 0.40 kJ/mol NIST
Δvap 81.10 kJ/mol NIST
Δvap Outlier 80.60 ± 1.50 kJ/mol NIST
logPoct/wat 6.488 Crippen Calculated Property
Pc 1400.00 ± 200.00 kPa NIST
Pc 1401.00 ± 50.00 kPa NIST
gas 778.31 J/mol×K NIST
liquid 586.18 J/mol×K NIST
liquid 626.80 J/mol×K NIST
Tboil [543.00; 561.00] K Show Hide
Tboil 560.20 K NIST
Tboil 559.00 ± 2.00 K NIST
Tboil 559.92 ± 0.20 K NIST
Tboil 553.00 ± 5.00 K NIST
Tboil 556.00 ± 6.00 K NIST
Tboil 561.00 ± 4.00 K NIST
Tboil 548.00 ± 5.00 K NIST
Tboil 543.00 ± 8.00 K NIST
Tboil 547.00 ± 5.00 K NIST
Tboil 551.00 ± 5.00 K NIST
Tc [717.15; 723.00] K Show Hide
Tc 723.00 ± 2.00 K NIST
Tc 723.00 ± 1.90 K NIST
Tc 722.40 ± 1.10 K NIST
Tc 723.00 ± 1.20 K NIST
Tc 722.60 K NIST
Tc 721.70 ± 2.00 K NIST
Tc 723.00 ± 2.00 K NIST
Tc 723.00 ± 3.00 K NIST
Tc Outlier 717.15 ± 3.00 K NIST
Tfus [288.00; 293.00] K Show Hide
Tfus 291.27 ± 0.02 K NIST
Tfus 291.32 ± 0.20 K NIST
Tfus 291.19 ± 0.05 K NIST
Tfus 291.15 ± 0.50 K NIST
Tfus 291.00 ± 0.30 K NIST
Tfus 291.33 ± 0.10 K NIST
Tfus 291.25 ± 0.10 K NIST
Tfus 290.00 ± 1.66 K NIST
Tfus 291.00 ± 2.00 K NIST
Tfus 291.29 ± 0.02 K NIST
Tfus 291.29 ± 0.02 K NIST
Tfus 291.30 ± 0.01 K NIST
Tfus 291.30 ± 0.06 K NIST
Tfus 291.30 ± 0.04 K NIST
Tfus 291.31 ± 0.02 K NIST
Tfus 291.00 ± 2.00 K NIST
Tfus 290.00 ± 3.00 K NIST
Tfus 291.21 ± 0.15 K NIST
Tfus 291.24 ± 0.10 K NIST
Tfus 291.24 ± 0.20 K NIST
Tfus 290.80 ± 0.50 K NIST
Tfus 291.29 ± 0.02 K NIST
Tfus 291.29 ± 0.01 K NIST
Tfus 291.24 ± 0.10 K NIST
Tfus Outlier 293.00 ± 0.60 K NIST
Tfus 291.30 ± 0.02 K NIST
Tfus 291.20 ± 0.60 K NIST
Tfus 290.40 ± 1.50 K NIST
Tfus 291.20 ± 0.40 K NIST
Tfus 291.00 ± 2.00 K NIST
Tfus 291.33 ± 0.20 K NIST
Tfus 291.30 ± 0.30 K NIST
Tfus 290.60 ± 0.50 K NIST
Tfus 291.29 ± 0.10 K NIST
Tfus Outlier 293.00 ± 3.00 K NIST
Tfus 292.40 ± 0.50 K NIST
Tfus 290.20 ± 2.00 K NIST
Tfus 291.00 ± 0.60 K NIST
Tfus Outlier 288.00 ± 3.00 K NIST
Tfus 291.05 ± 0.40 K NIST
Tfus 290.10 ± 0.50 K NIST
Tfus 290.98 ± 0.30 K NIST
Tfus Outlier 288.69 ± 2.00 K NIST
Tfus 290.70 ± 2.00 K NIST
Tfus 291.26 ± 0.20 K NIST
Tfus 290.00 ± 2.00 K NIST
Tfus 291.26 ± 0.20 K NIST
Tfus 291.00 ± 2.00 K NIST
Tfus Outlier 293.00 ± 2.00 K NIST
Tfus Outlier 293.00 ± 2.00 K NIST
Tfus 291.40 ± 2.00 K NIST
Tfus 292.00 ± 3.00 K NIST
Tfus 291.00 ± 3.00 K NIST
Tfus 291.00 ± 2.00 K NIST
Ttriple [291.10; 291.34] K Show Hide
Ttriple 291.33 ± 0.05 K NIST
Ttriple 291.32 ± 0.60 K NIST
Ttriple 291.34 ± 0.02 K NIST
Ttriple 291.33 ± 0.40 K NIST
Ttriple 291.32 ± 0.40 K NIST
Ttriple 291.32 ± 0.20 K NIST
Ttriple 291.34 ± 0.20 K NIST
Ttriple 291.33 ± 0.10 K NIST
Ttriple Outlier 291.10 ± 0.20 K NIST
Vc 1.034 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 611.73 J/mol×K 565.48 Joback Calculated Property
Cp,liquid [484.90; 512.37] J/mol×K [297.79; 313.15] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 499.00 J/mol×K 297.79 NIST
Cp,liquid 498.30 J/mol×K 298.0 NIST
Cp,liquid 499.72 J/mol×K 298.15 NIST
Cp,liquid 497.16 J/mol×K 298.15 NIST
Cp,liquid 499.62 J/mol×K 298.15 NIST
Cp,liquid 500.21 J/mol×K 298.15 NIST
Cp,liquid 500.21 J/mol×K 298.15 NIST
Cp,liquid 499.62 J/mol×K 298.15 NIST
Cp,liquid 495.73 J/mol×K 298.15 NIST
Cp,liquid 496.45 J/mol×K 298.15 NIST
Cp,liquid 499.97 J/mol×K 298.15 NIST
Cp,liquid 501.60 J/mol×K 298.15 NIST
Cp,liquid 504.58 J/mol×K 298.15 NIST
Cp,liquid 501.45 J/mol×K 298.15 NIST
Cp,liquid 504.20 J/mol×K 298.15 NIST
Cp,liquid 484.90 J/mol×K 311.0 NIST
Cp,liquid 512.37 J/mol×K 313.15 NIST
η 0.0001521 Pa×s 565.48 Joback Calculated Property
ΔfusH 51.46 kJ/mol 291.1 NIST
ΔfusH 53.35 kJ/mol 291.3 NIST
ΔsubH 80.00 ± 3.00 kJ/mol 288.0 NIST
ΔsubH 83.00 ± 8.00 kJ/mol 289.0 NIST
ΔsubH 134.90 kJ/mol 291.0 NIST
ΔvapH [59.80; 93.40] kJ/mol [300.50; 547.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 80.20 kJ/mol 300.5 NIST
ΔvapH 93.40 kJ/mol 311.5 NIST
ΔvapH 66.90 kJ/mol 343.0 NIST
ΔvapH 66.20 kJ/mol 353.0 NIST
ΔvapH 65.60 kJ/mol 363.0 NIST
ΔvapH 74.90 kJ/mol 373.0 NIST
ΔvapH 64.90 kJ/mol 373.0 NIST
ΔvapH 64.20 kJ/mol 383.0 NIST
ΔvapH 65.70 kJ/mol 455.5 NIST
ΔvapH 68.50 kJ/mol 488.0 NIST
ΔvapH 61.70 kJ/mol 515.0 NIST
ΔvapH 59.80 kJ/mol 547.0 NIST
ΔfusS 176.79 J/mol×K 291.1 NIST
ΔfusS 183.13 J/mol×K 291.3 NIST

Molecular Descriptors

Joback and Reid Groups
-CH2- 14
-CH3 2

Similar Compounds

Cyclooctadecane. Dotriacontane. n-Triacontane. heptapentacontane. Undecane. n-Nonacosane. n-Octatetracontane. Cyclodecane. octapentacontane. Heptatriacontane. dohexacontane. n-Tricosane. Nonane. CYCLOOCTACOSANE. n-Docosane.

Find more compounds similar to Hexadecane.

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