Chemical Properties of Hexane, 2,3,4-trimethyl- (CAS 921-47-1)

Hexane, 2,3,4-trimethyl-

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InChI
InChI=1S/C9H20/c1-6-8(4)9(5)7(2)3/h7-9H,6H2,1-5H3
InChI Key
RUTNOQHQISEBGT-UHFFFAOYSA-N
Formula
C9H20
SMILES
CCC(C)C(C)C(C)C
Molecular Weight1
128.26
CAS
921-47-1
Other Names
  • 2,3,4-Trimethylhexane
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Physical Properties

Property Value Unit Source
Δf 17.58 kJ/mol Joback Calculated Property
Δfgas -244.93 kJ/mol Joback Calculated Property
Δfus 8.50 kJ/mol Joback Calculated Property
Δvap 42.70 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 [815.00; 853.00]   Show Hide
Inp 850.00 NIST
Inp 843.00 NIST
Inp 845.80 NIST
Inp 850.05 NIST
Inp 849.30 NIST
Inp 851.40 NIST
Inp 848.30 NIST
Inp 848.40 NIST
Inp 849.90 NIST
Inp 850.10 NIST
Inp 852.00 NIST
Inp 850.00 NIST
Inp 849.70 NIST
Inp 849.00 NIST
Inp 852.00 NIST
Inp 840.00 NIST
Inp 841.00 NIST
Inp 842.00 NIST
Inp 843.00 NIST
Inp 844.00 NIST
Inp 848.00 NIST
Inp 851.00 NIST
Inp 843.00 NIST
Inp 847.00 NIST
Inp 850.00 NIST
Inp 847.00 NIST
Inp 850.00 NIST
Inp 853.00 NIST
Inp 847.00 NIST
Inp 850.20 NIST
Inp 850.00 NIST
Inp 847.00 NIST
Inp 853.00 NIST
Inp Outlier 815.00 NIST
Inp 849.00 NIST
Inp 851.00 NIST
Inp 850.00 NIST
Inp 850.00 NIST
Inp 850.20 NIST
Inp 850.00 NIST
Inp 851.40 NIST
Inp 852.00 NIST
Inp 840.00 NIST
Inp 848.00 NIST
Inp 847.00 NIST
Tboil [410.35; 412.25] K Show Hide
Tboil 412.00 ± 1.50 K NIST
Tboil 412.21 ± 0.30 K NIST
Tboil 412.21 ± 0.60 K NIST
Tboil 410.85 ± 0.70 K NIST
Tboil 410.35 ± 0.40 K NIST
Tboil 412.25 ± 0.30 K NIST
Tc 578.35 K Joback Calculated Property
Tfus 146.19 K Joback Calculated Property
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

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [299.95; 440.34] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41855e+01
Coefficient B-3.44620e+03
Coefficient C-5.19900e+01
Temperature range, min.299.95
Temperature range, max.440.34
Pvap 1.33 kPa 299.95 Calculated Property
Pvap 3.03 kPa 315.55 Calculated Property
Pvap 6.30 kPa 331.15 Calculated Property
Pvap 12.11 kPa 346.75 Calculated Property
Pvap 21.79 kPa 362.35 Calculated Property
Pvap 37.07 kPa 377.94 Calculated Property
Pvap 60.08 kPa 393.54 Calculated Property
Pvap 93.36 kPa 409.14 Calculated Property
Pvap 139.80 kPa 424.74 Calculated Property
Pvap 202.67 kPa 440.34 Calculated Property
Pvap [1.35; 2536.14] kPa [300.15; 594.50] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.02224e+01
Coefficient B-8.04411e+03
Coefficient C-1.11797e+01
Coefficient D7.24323e-06
Temperature range, min.300.15
Temperature range, max.594.50
Pvap 1.35 kPa 300.15 Calculated Property
Pvap 6.88 kPa 332.86 Calculated Property
Pvap 24.75 kPa 365.56 Calculated Property
Pvap 69.34 kPa 398.27 Calculated Property
Pvap 161.72 kPa 430.97 Calculated Property
Pvap 329.18 kPa 463.68 Calculated Property
Pvap 604.91 kPa 496.38 Calculated Property
Pvap 1029.05 kPa 529.09 Calculated Property
Pvap 1651.38 kPa 561.79 Calculated Property
Pvap 2536.14 kPa 594.50 Calculated Property

Similar Compounds

Hexane, 3-ethyl-2,4-dimethyl-. Hexane, 4-ethyl-2,3-dimethyl-. Heptane, 3,4,5-trimethyl-, erythro. Heptane, 3,4,5-trimethyl-. 3,4,5,6-Tetramethyloctane, d. 3,4,5,6-Tetramethyloctane, a. 3,4,5,6-Tetramethyloctane, c. 3,4,5,6-Tetramethyloctane, e. Octane, 3,4,5,6-tetramethyl-. 3,4,5,6-Tetramethyloctane, b. Hexane, 2-methyl-3-(1-methylethyl)-. Hexane, 3-ethyl-2,5-dimethyl-. Hexane, 3,4-dimethyl-. 4,5-dimethyl-2,3-diethylheptane. Heptane, 2,3,4-trimethyl-.

Find more compounds similar to Hexane, 2,3,4-trimethyl-.

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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