Chemical Properties of Hexane, 3-ethyl-2-methyl- (CAS 16789-46-1)

Hexane, 3-ethyl-2-methyl-

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InChI
InChI=1S/C9H20/c1-5-7-9(6-2)8(3)4/h8-9H,5-7H2,1-4H3
InChI Key
MVLOWDRGPHBNNF-UHFFFAOYSA-N
Formula
C9H20
SMILES
CCCC(CC)C(C)C
Molecular Weight1
128.26
CAS
16789-46-1
Other Names
  • 2-METHYL-3-ETHYLHEXANE
  • 3-ETHYL-2-METHYLHEXANE
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Physical Properties

Property Value Unit Source
ω 0.3780 KDB
Δf 20.02 kJ/mol Joback Calculated Property
Δc,grossH 6122.28 kJ/mol KDB
Δc,netH 5682.165 kJ/mol KDB
Δfgas -239.65 kJ/mol Joback Calculated Property
Δfus 12.02 kJ/mol Joback Calculated Property
Δvap 43.20 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 2450.00 kPa KDB
Inp [842.00; 849.00]   Show Hide
Inp 844.00 NIST
Inp 843.20 NIST
Inp 845.00 NIST
Inp 844.70 NIST
Inp 845.70 NIST
Inp 845.00 NIST
Inp Outlier 842.00 NIST
Inp 844.00 NIST
Inp 846.00 NIST
Inp 847.00 NIST
Inp 847.00 NIST
Inp 846.00 NIST
Inp Outlier 849.00 NIST
Inp 845.00 NIST
Inp 844.00 NIST
Inp 847.00 NIST
Inp 847.00 NIST
Inp 845.00 NIST
Inp 844.00 NIST
Tboil [411.15; 411.20] K Show Hide
Tboil 411.20 K KDB
Tboil 411.15 ± 0.50 K NIST
Tc 588.10 K KDB
Tfus 160.00 K KDB
Vc 0.497 m3/kmol KDB
Zc 0.2490200 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 35.98 kJ/mol 411.20 KDB
n0 1.40970 298.15 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [300.31; 438.89] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42326e+01
Coefficient B-3.43185e+03
Coefficient C-5.42070e+01
Temperature range, min.300.31
Temperature range, max.438.89
Pvap 1.33 kPa 300.31 Calculated Property
Pvap 3.03 kPa 315.71 Calculated Property
Pvap 6.29 kPa 331.11 Calculated Property
Pvap 12.08 kPa 346.50 Calculated Property
Pvap 21.74 kPa 361.90 Calculated Property
Pvap 36.99 kPa 377.30 Calculated Property
Pvap 59.97 kPa 392.70 Calculated Property
Pvap 93.23 kPa 408.09 Calculated Property
Pvap 139.69 kPa 423.49 Calculated Property
Pvap 202.63 kPa 438.89 Calculated Property
Pvap [1.33; 2465.91] kPa [300.15; 588.10] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.38529e+01
Coefficient B-8.24578e+03
Coefficient C-1.17078e+01
Coefficient D7.62655e-06
Temperature range, min.300.15
Temperature range, max.588.10
Pvap 1.33 kPa 300.15 Calculated Property
Pvap 6.67 kPa 332.14 Calculated Property
Pvap 23.87 kPa 364.14 Calculated Property
Pvap 66.75 kPa 396.13 Calculated Property
Pvap 155.77 kPa 428.13 Calculated Property
Pvap 317.53 kPa 460.12 Calculated Property
Pvap 584.63 kPa 492.12 Calculated Property
Pvap 996.61 kPa 524.11 Calculated Property
Pvap 1602.57 kPa 556.11 Calculated Property
Pvap 2465.91 kPa 588.10 Calculated Property

Similar Compounds

Hexane, 2-methyl-3-(1-methylethyl)-. Hexane, 3-ethyl-2,5-dimethyl-. Hexane, 2,3-dimethyl-. Heptane, 4-(1-methylethyl)-. Heptane, 4-ethyl-3-methyl-. Heptane, 3-ethyl-4-methyl-. Heptane, 3-ethyl-2-methyl-. Octadecane, 8-methyl-7-pentyl. Nonadecane, 9-ethyl-10-methyl. Heptadecane, 9-ethyl-8-methyl. Heneicosane, 10-ethyl-11-methyl. Undecane, 5-ethyl-6-methyl. Hexadecane, 8-methyl-7-propyl. Nonane, 4-ethyl-5-methyl-. Octane, 4-ethyl-3-methyl.

Find more compounds similar to Hexane, 3-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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