Chemical Properties of Hexane, 2,3,5-trimethyl- (CAS 1069-53-0)

Hexane, 2,3,5-trimethyl-

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InChI
InChI=1S/C9H20/c1-7(2)6-9(5)8(3)4/h7-9H,6H2,1-5H3
InChI Key
ODGLTLJZCVNPBU-UHFFFAOYSA-N
Formula
C9H20
SMILES
CC(C)CC(C)C(C)C
Molecular Weight1
128.26
CAS
1069-53-0
Other Names
  • 2,3,5-Trimethylhexane
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Physical Properties

Property Value Unit Source
Δcliquid -6115.88 ± 0.84 kJ/mol NIST
Δf 17.58 kJ/mol Joback Calculated Property
Δfgas -242.60 kJ/mol NIST
Δfliquid -284.00 ± 1.00 kJ/mol NIST
Δfus 8.50 kJ/mol Joback Calculated Property
Δvap [41.40; 41.45] kJ/mol Show Hide
Δvap 41.45 kJ/mol NIST
Δvap 41.40 kJ/mol NIST
Δvap 41.40 kJ/mol NIST
Δvap 41.42 kJ/mol NIST
log10WS -2.86 Crippen Calculated Property
logPoct/wat 3.325 Crippen Calculated Property
McVol 137.670 ml/mol McGowan Calculated Property
Pc 2361.07 kPa Joback Calculated Property
Inp [806.00; 827.70]   Show Hide
Inp 813.00 NIST
Inp 810.00 NIST
Inp 811.40 NIST
Inp 813.30 NIST
Inp 817.00 NIST
Inp 817.00 NIST
Inp 813.00 NIST
Inp 813.20 NIST
Inp 811.70 NIST
Inp 812.00 NIST
Inp 814.00 NIST
Inp 806.00 NIST
Inp 808.00 NIST
Inp 808.00 NIST
Inp 810.00 NIST
Inp 812.00 NIST
Inp 818.00 NIST
Inp 810.00 NIST
Inp 813.00 NIST
Inp 810.50 NIST
Inp 812.00 NIST
Inp 811.00 NIST
Inp 812.00 NIST
Inp 812.00 NIST
Inp 810.00 NIST
Inp 809.00 NIST
Inp Outlier 827.70 NIST
Inp 818.00 NIST
Inp 812.00 NIST
Inp 820.60 NIST
Inp 814.90 NIST
Inp 814.87 NIST
Inp 815.02 NIST
Inp 815.00 NIST
Inp 814.80 NIST
Inp 815.00 NIST
Inp 812.00 NIST
Inp 813.00 NIST
Inp 816.00 NIST
Inp 818.00 NIST
Inp 812.00 NIST
Inp 817.00 NIST
Inp 819.00 NIST
Inp 812.00 NIST
Inp 819.00 NIST
Inp 813.00 NIST
Inp 813.00 NIST
Inp 815.00 NIST
Inp 817.00 NIST
Inp Outlier 826.00 NIST
Inp 816.00 NIST
Inp 808.00 NIST
Inp Outlier 825.00 NIST
Inp 818.00 NIST
Inp 810.00 NIST
Inp 813.00 NIST
Inp 817.00 NIST
Inp 814.00 NIST
Inp 812.00 NIST
Tboil [402.00; 405.00] K Show Hide
Tboil 404.52 K KDB
Tboil 404.50 K NIST
Tboil 403.40 ± 0.60 K NIST
Tboil 404.52 ± 0.10 K NIST
Tboil 404.46 ± 0.25 K NIST
Tboil 404.46 ± 0.30 K NIST
Tboil Outlier 402.00 ± 2.00 K NIST
Tboil 403.45 ± 0.50 K NIST
Tboil 403.45 ± 0.50 K NIST
Tboil 405.00 ± 0.40 K NIST
Tc 578.35 K Joback Calculated Property
Tfus [145.25; 145.25] K Show Hide
Tfus 145.25 K KDB
Tfus 145.25 ± 0.15 K NIST
Tfus 145.25 ± 0.30 K NIST
Vc 0.521 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [272.44; 355.89] J/mol×K [404.00; 578.35] Show Hide
Cp,gas 272.44 J/mol×K 404.00 Joback Calculated Property
Cp,gas 287.79 J/mol×K 433.06 Joback Calculated Property
Cp,gas 302.55 J/mol×K 462.12 Joback Calculated Property
Cp,gas 316.72 J/mol×K 491.17 Joback Calculated Property
Cp,gas 330.33 J/mol×K 520.23 Joback Calculated Property
Cp,gas 343.38 J/mol×K 549.29 Joback Calculated Property
Cp,gas 355.89 J/mol×K 578.35 Joback Calculated Property
η [0.0002173; 0.0558851] Pa×s [146.19; 404.00] Show Hide
η 0.0558851 Pa×s 146.19 Joback Calculated Property
η 0.0077512 Pa×s 189.16 Joback Calculated Property
η 0.0022339 Pa×s 232.13 Joback Calculated Property
η 0.0009496 Pa×s 275.10 Joback Calculated Property
η 0.0005086 Pa×s 318.06 Joback Calculated Property
η 0.0003161 Pa×s 361.03 Joback Calculated Property
η 0.0002173 Pa×s 404.00 Joback Calculated Property
ΔvapH 34.43 kJ/mol 404.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [295.16; 432.00] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41034e+01
Coefficient B-3.30854e+03
Coefficient C-5.56850e+01
Temperature range, min.295.16
Temperature range, max.432.00
Pvap 1.33 kPa 295.16 Calculated Property
Pvap 3.04 kPa 310.36 Calculated Property
Pvap 6.32 kPa 325.57 Calculated Property
Pvap 12.16 kPa 340.77 Calculated Property
Pvap 21.88 kPa 355.98 Calculated Property
Pvap 37.21 kPa 371.18 Calculated Property
Pvap 60.27 kPa 386.39 Calculated Property
Pvap 93.56 kPa 401.59 Calculated Property
Pvap 139.95 kPa 416.80 Calculated Property
Pvap 202.65 kPa 432.00 Calculated Property
Pvap [1.32; 2403.05] kPa [295.15; 579.20] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.50061e+01
Coefficient B-8.18556e+03
Coefficient C-1.18986e+01
Coefficient D7.76762e-06
Temperature range, min.295.15
Temperature range, max.579.20
Pvap 1.32 kPa 295.15 Calculated Property
Pvap 6.68 kPa 326.71 Calculated Property
Pvap 23.96 kPa 358.27 Calculated Property
Pvap 67.02 kPa 389.83 Calculated Property
Pvap 156.07 kPa 421.39 Calculated Property
Pvap 316.95 kPa 452.96 Calculated Property
Pvap 580.72 kPa 484.52 Calculated Property
Pvap 984.26 kPa 516.08 Calculated Property
Pvap 1572.58 kPa 547.64 Calculated Property
Pvap 2403.05 kPa 579.20 Calculated Property

Similar Compounds

Hexane, 3-ethyl-2,5-dimethyl-. Hexane, 2,3-dimethyl-. 1,2,4,5-tetramethylcyclohexane, trans. Cyclohexane, 1,2,4,5-tetramethyl. 1,2,4,5-tetramethylcyclohexane, cis. 2,3,5-Trimethylheptane, erythro. 2,3,5-Trimethylheptane, threo. Cyclohexane, 1,2,3,4,5-pentamethyl. Heptane, 2,3,5-trimethyl-. Decane, 2,3,5-trimethyl-. Heptane, 2,4,5-trimethyl-. Decane, 2,3,5,8-tetramethyl-. Hexane, 2-methyl-3-(1-methylethyl)-. Heptane, 2,3,6-trimethyl-. Hexane, 3-ethyl-2-methyl-.

Find more compounds similar to Hexane, 2,3,5-trimethyl-.

Sources

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