Chemical Properties of Hexane, 3-ethyl- (CAS 619-99-8)

Hexane, 3-ethyl-

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InChI
InChI=1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3
InChI Key
SFRKSDZMZHIISH-UHFFFAOYSA-N
Formula
C8H18
SMILES
CCCC(CC)CC
Molecular Weight1
114.23
CAS
619-99-8
Other Names
  • 3-Ethylhexane
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Physical Properties

Property Value Unit Source
ω 0.3610 KDB
AP 341.850 K KDB
Δcliquid [-5470.12; -5262.00] kJ/mol Show Hide
Δcliquid -5470.12 ± 0.96 kJ/mol NIST
Δcliquid -5432.10 kJ/mol NIST
Δcliquid -5262.00 kJ/mol NIST
Δf 16.94 kJ/mol KDB
Δc,grossH 5470.12 kJ/mol KDB
Δc,netH 5073.979 kJ/mol KDB
Δfgas [-211.00; -210.90] kJ/mol Show Hide
Δfgas -211.00 kJ/mol KDB
Δfgas -210.90 ± 1.20 kJ/mol NIST
Δfliquid -250.50 ± 1.10 kJ/mol NIST
Δfus 12.95 kJ/mol Joback Calculated Property
Δvap [33.00; 39.70] kJ/mol Show Hide
Δvap 39.69 kJ/mol NIST
Δvap 39.70 kJ/mol NIST
Δvap 39.60 ± 0.10 kJ/mol NIST
Δvap 39.69 kJ/mol NIST
Δvap 33.00 kJ/mol NIST
log10WS -2.93 Crippen Calculated Property
logPoct/wat 3.223 Crippen Calculated Property
McVol 123.580 ml/mol McGowan Calculated Property
Pc [2607.90; 2610.00] kPa Show Hide
Pc 2610.00 kPa KDB
Pc 2610.00 ± 40.00 kPa NIST
Pc 2607.90 ± 40.53 kPa NIST
ρc [251.30; 251.30] kg/m3 Show Hide
ρc 251.30 ± 4.57 kg/m3 NIST
ρc 251.30 ± 4.57 kg/m3 NIST
Inp [763.00; 777.00]   Show Hide
Inp 775.70 NIST
Inp 771.00 NIST
Inp 775.00 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 775.00 NIST
Inp 772.00 NIST
Inp 772.80 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 775.00 NIST
Inp 775.00 NIST
Inp 775.30 NIST
Inp 775.30 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 776.90 NIST
Inp 772.00 NIST
Inp 770.00 NIST
Inp 771.00 NIST
Inp 771.00 NIST
Inp 772.00 NIST
Inp 772.00 NIST
Inp 772.20 NIST
Inp 776.00 NIST
Inp 771.00 NIST
Inp 775.00 NIST
Inp 772.00 NIST
Inp 770.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 775.00 NIST
Inp 771.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 770.00 NIST
Inp 771.00 NIST
Inp 773.40 NIST
Inp 772.90 NIST
Inp 775.00 NIST
Inp 769.70 NIST
Inp 770.10 NIST
Inp 771.44 NIST
Inp 773.69 NIST
Inp 772.00 NIST
Inp 774.01 NIST
Inp 774.57 NIST
Inp 774.94 NIST
Inp 773.78 NIST
Inp 774.37 NIST
Inp 774.75 NIST
Inp 770.00 NIST
Inp 775.00 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 775.00 NIST
Inp 773.00 NIST
Inp Outlier 765.00 NIST
Inp 777.00 NIST
Inp 773.00 NIST
Inp 775.00 NIST
Inp 773.00 NIST
Inp Outlier 763.00 NIST
Inp 774.00 NIST
Inp 773.00 NIST
Inp 775.00 NIST
Inp 773.00 NIST
Inp 769.00 NIST
Inp 770.00 NIST
Inp 775.70 NIST
Inp 775.00 NIST
Inp 773.00 NIST
Inp 775.30 NIST
Inp 770.00 NIST
Inp 772.20 NIST
Inp 773.40 NIST
Inp 774.00 NIST
Tboil [391.55; 391.97] K Show Hide
Tboil 391.70 K KDB
Tboil 391.70 K NIST
Tboil 391.70 K NIST
Tboil 391.68 ± 0.20 K NIST
Tboil Outlier 391.97 ± 0.20 K NIST
Tboil 391.55 ± 0.20 K NIST
Tboil 391.69 ± 0.20 K NIST
Tboil 391.80 ± 0.40 K NIST
Tboil 391.85 ± 0.50 K NIST
Tboil 391.65 ± 0.50 K NIST
Tboil 391.70 ± 0.15 K NIST
Tboil 391.90 ± 0.00 K NIST
Tboil 391.68 ± 0.02 K NIST
Tboil 391.68 ± 0.10 K NIST
Tboil 391.85 ± 0.20 K NIST
Tboil 391.85 ± 0.30 K NIST
Tc [565.40; 565.50] K Show Hide
Tc 565.50 K KDB
Tc 565.50 ± 0.50 K NIST
Tc 565.40 K NIST
Tc 565.42 ± 0.40 K NIST
Tfus 164.92 K Joback Calculated Property
Vc [0.455; 0.455] m3/kmol Show Hide
Vc 0.455 m3/kmol KDB
Vc 0.455 m3/kmol NIST
Zc 0.2525710 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [241.42; 298.74] J/mol×K [397.10; 522.70] Show Hide
Cp,gas 241.42 J/mol×K 397.10 NIST
Cp,gas 269.87 J/mol×K 462.70 NIST
Cp,gas 298.74 J/mol×K 522.70 NIST
η [0.0002373; 0.0105616] Pa×s [164.92; 382.00] Show Hide
η 0.0105616 Pa×s 164.92 Joback Calculated Property
η 0.0031758 Pa×s 201.10 Joback Calculated Property
η 0.0013776 Pa×s 237.28 Joback Calculated Property
η 0.0007454 Pa×s 273.46 Joback Calculated Property
η 0.0004656 Pa×s 309.64 Joback Calculated Property
η 0.0003209 Pa×s 345.82 Joback Calculated Property
η 0.0002373 Pa×s 382.00 Joback Calculated Property
ΔvapH [33.59; 42.40] kJ/mol [321.00; 391.70] Show Hide
ΔvapH 42.40 kJ/mol 321.00 NIST
ΔvapH 38.20 kJ/mol 353.50 NIST
ΔvapH 33.61 kJ/mol 391.70 KDB
ΔvapH 33.59 kJ/mol 391.70 NIST
n0 1.39919 298.15 KDB
ρl 718.00 kg/m3 289.00 KDB
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [286.01; 418.13] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42298e+01
Coefficient B-3.26994e+03
Coefficient C-5.14790e+01
Temperature range, min.286.01
Temperature range, max.418.13
Pvap 1.33 kPa 286.01 Calculated Property
Pvap 3.03 kPa 300.69 Calculated Property
Pvap 6.29 kPa 315.37 Calculated Property
Pvap 12.08 kPa 330.05 Calculated Property
Pvap 21.74 kPa 344.73 Calculated Property
Pvap 36.99 kPa 359.41 Calculated Property
Pvap 59.98 kPa 374.09 Calculated Property
Pvap 93.23 kPa 388.77 Calculated Property
Pvap 139.70 kPa 403.45 Calculated Property
Pvap 202.64 kPa 418.13 Calculated Property
Pvap [0.11; 2592.05] kPa [250.00; 565.40] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.99778e+01
Coefficient B-7.73243e+03
Coefficient C-1.11883e+01
Coefficient D7.70935e-06
Temperature range, min.250.00
Temperature range, max.565.40
Pvap 0.11 kPa 250.00 Calculated Property
Pvap 1.26 kPa 285.04 Calculated Property
Pvap 7.92 kPa 320.09 Calculated Property
Pvap 32.26 kPa 355.13 Calculated Property
Pvap 97.30 kPa 390.18 Calculated Property
Pvap 237.23 kPa 425.22 Calculated Property
Pvap 496.10 kPa 460.27 Calculated Property
Pvap 927.58 kPa 495.31 Calculated Property
Pvap 1597.80 kPa 530.36 Calculated Property
Pvap 2592.05 kPa 565.40 Calculated Property

Similar Compounds

Heptane, 4-ethyl-. Heptane, 4-propyl-. (S)-(+)-3-methylhexane. Hexane, 3-methyl-. Heptane, 3-ethyl-. Octane, 4-ethyl-. Nonane, 5-ethyl. Hexane, 4-ethyl-2-methyl-. Pentadecane, 7-ethyl. Dodecane, 4-ethyl. Tridecane, 7-ethyl. Tridecane, 6-ethyl. Tetradecane, 7-ethyl. 5-Ethylheptadecane. 5-Ethylhenicosane.

Find more compounds similar to Hexane, 3-ethyl-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

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