Chemical Properties of Hexane, 4-ethyl-2-methyl- (CAS 3074-75-7)

Hexane, 4-ethyl-2-methyl-

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InChI
InChI=1S/C9H20/c1-5-9(6-2)7-8(3)4/h8-9H,5-7H2,1-4H3
InChI Key
KYCZJIBOPKRSOV-UHFFFAOYSA-N
Formula
C9H20
SMILES
CCC(CC)CC(C)C
Molecular Weight1
128.26
CAS
3074-75-7
Other Names
  • 2-METHYL-4-ETHYLHEXANE
  • 4-Ethyl-2-methylhexane
  • Hexane, 3-ethyl-5-methyl
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Physical Properties

Property Value Unit Source
ω 0.3860 KDB
Δf 20.02 kJ/mol Joback Calculated Property
Δc,grossH 6118.68 kJ/mol KDB
Δc,netH 5678.567 kJ/mol KDB
Δfgas -239.65 kJ/mol Joback Calculated Property
Δfus 12.02 kJ/mol Joback Calculated Property
Δvap 42.90 kJ/mol NIST
log10WS -3.11 Crippen Calculated Property
logPoct/wat 3.469 Crippen Calculated Property
McVol 137.670 ml/mol McGowan Calculated Property
Pc 2400.00 kPa KDB
Inp [822.00; 833.00]   Show Hide
Inp 825.00 NIST
Inp 823.00 NIST
Inp 823.80 NIST
Inp 824.80 NIST
Inp 824.90 NIST
Inp 825.00 NIST
Inp 823.00 NIST
Inp 824.00 NIST
Inp 825.00 NIST
Inp Outlier 833.00 NIST
Inp 827.30 NIST
Inp 827.65 NIST
Inp 828.36 NIST
Inp 827.00 NIST
Inp 825.00 NIST
Inp 828.00 NIST
Inp 825.00 NIST
Inp 825.00 NIST
Inp 827.00 NIST
Inp 822.00 NIST
Inp 827.00 NIST
Inp Outlier 833.00 NIST
Inp 825.00 NIST
Tboil [406.95; 407.00] K Show Hide
Tboil 407.00 K KDB
Tboil 406.95 ± 0.50 K NIST
Tc 580.00 K KDB
Tfus 160.00 K KDB
Vc 0.504 m3/kmol KDB
Zc 0.2508290 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [272.52; 353.86] J/mol×K [404.44; 574.89] Show Hide
Cp,gas 272.52 J/mol×K 404.44 Joback Calculated Property
Cp,gas 287.44 J/mol×K 432.85 Joback Calculated Property
Cp,gas 301.80 J/mol×K 461.26 Joback Calculated Property
Cp,gas 315.61 J/mol×K 489.67 Joback Calculated Property
Cp,gas 328.88 J/mol×K 518.07 Joback Calculated Property
Cp,gas 341.62 J/mol×K 546.48 Joback Calculated Property
Cp,gas 353.86 J/mol×K 574.89 Joback Calculated Property
η [0.0002255; 0.0224972] Pa×s [161.19; 404.44] Show Hide
η 0.0224972 Pa×s 161.19 Joback Calculated Property
η 0.0048330 Pa×s 201.73 Joback Calculated Property
η 0.0017372 Pa×s 242.27 Joback Calculated Property
η 0.0008373 Pa×s 282.81 Joback Calculated Property
η 0.0004846 Pa×s 323.36 Joback Calculated Property
η 0.0003168 Pa×s 363.90 Joback Calculated Property
η 0.0002255 Pa×s 404.44 Joback Calculated Property
ΔvapH 35.65 kJ/mol 407.00 KDB
n0 1.40460 298.15 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [297.76; 434.31] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42008e+01
Coefficient B-3.36162e+03
Coefficient C-5.61500e+01
Temperature range, min.297.76
Temperature range, max.434.31
Pvap 1.33 kPa 297.76 Calculated Property
Pvap 3.03 kPa 312.93 Calculated Property
Pvap 6.30 kPa 328.10 Calculated Property
Pvap 12.10 kPa 343.28 Calculated Property
Pvap 21.77 kPa 358.45 Calculated Property
Pvap 37.04 kPa 373.62 Calculated Property
Pvap 60.04 kPa 388.79 Calculated Property
Pvap 93.30 kPa 403.97 Calculated Property
Pvap 139.74 kPa 419.14 Calculated Property
Pvap 202.63 kPa 434.31 Calculated Property
Pvap [1.36; 2404.15] kPa [298.15; 580.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.60393e+01
Coefficient B-8.30884e+03
Coefficient C-1.20326e+01
Coefficient D7.83281e-06
Temperature range, min.298.15
Temperature range, max.580.00
Pvap 1.36 kPa 298.15 Calculated Property
Pvap 6.77 kPa 329.47 Calculated Property
Pvap 23.99 kPa 360.78 Calculated Property
Pvap 66.69 kPa 392.10 Calculated Property
Pvap 154.91 kPa 423.42 Calculated Property
Pvap 314.54 kPa 454.73 Calculated Property
Pvap 576.96 kPa 486.05 Calculated Property
Pvap 979.80 kPa 517.37 Calculated Property
Pvap 1569.21 kPa 548.68 Calculated Property
Pvap 2404.15 kPa 580.00 Calculated Property

Similar Compounds

Hexane, 2,4-dimethyl-. Heptane, 3-ethyl-5-methyl-. Heptane, 4-ethyl-2-methyl-. Nonane, 3-methyl-5-propyl-. «alpha»,«beta»-3,5-dimethylheptane. Heptane, 3,5-dimethyl-. 3,5-Dimethylheptane, erythro. 3,5-Dimethylheptane, threo. 3,5-Dimethylheptane, (L). 1-methyl,trans-3-ethylcycloheptane. (2-Methylbutyl)cyclohexane. 1-Ethyl-3-methylcyclohexane (c,t). cis-1-Ethyl-3-methyl-cyclohexane. trans-1-Ethyl-3-methylcyclohexane. 3,5-dimethyloctane, threo.

Find more compounds similar to Hexane, 4-ethyl-2-methyl-.

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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