Chemical Properties of Hexane, 2,2,3-trimethyl- (CAS 16747-25-4)

Hexane, 2,2,3-trimethyl-

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InChI
InChI=1S/C9H20/c1-6-7-8(2)9(3,4)5/h8H,6-7H2,1-5H3
InChI Key
CBVFSZDQEHBJEQ-UHFFFAOYSA-N
Formula
C9H20
SMILES
CCCC(C)C(C)(C)C
Molecular Weight1
128.26
CAS
16747-25-4
Other Names
  • 2,2,3-Trimethylhexane
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Physical Properties

Property Value Unit Source
ω 0.3320 KDB
AP 345.150 K KDB
Δcliquid -6117.22 ± 0.75 kJ/mol NIST
Δf 24.53 kJ/mol KDB
Δc,grossH 6117.22 kJ/mol KDB
Δc,netH 5677.102 kJ/mol KDB
Δfgas -241.40 kJ/mol KDB
Δfliquid -282.70 ± 0.92 kJ/mol NIST
Δfus 8.13 kJ/mol Joback Calculated Property
Δvap 41.70 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 2490.00 kPa KDB
Inp [818.00; 842.00]   Show Hide
Inp 823.00 NIST
Inp 818.00 NIST
Inp 820.80 NIST
Inp 824.80 NIST
Inp 824.70 NIST
Inp 824.80 NIST
Inp 823.00 NIST
Inp 823.30 NIST
Inp 824.20 NIST
Inp 822.00 NIST
Inp 824.00 NIST
Inp 819.00 NIST
Inp 820.00 NIST
Inp 821.00 NIST
Inp 822.00 NIST
Inp 823.00 NIST
Inp Outlier 842.00 NIST
Inp Outlier 834.00 NIST
Inp 823.00 NIST
Inp 819.00 NIST
Inp 822.00 NIST
Inp 825.00 NIST
Inp 821.00 NIST
Inp 822.00 NIST
Inp Outlier 835.50 NIST
Inp 822.00 NIST
Inp 823.10 NIST
Inp 820.18 NIST
Inp 821.86 NIST
Inp 822.87 NIST
Inp 820.26 NIST
Inp 821.85 NIST
Inp 822.87 NIST
Inp 821.00 NIST
Inp 823.00 NIST
Inp 823.00 NIST
Inp 824.00 NIST
Inp 822.00 NIST
Inp 823.00 NIST
Inp 823.00 NIST
Inp 823.00 NIST
Inp 825.00 NIST
Inp Outlier 833.00 NIST
Inp 821.00 NIST
Inp 821.00 NIST
Inp 823.00 NIST
Inp 823.10 NIST
Inp 821.85 NIST
Tboil [404.85; 407.40] K Show Hide
Tboil 406.80 K KDB
Tboil 407.40 ± 1.50 K NIST
Tboil 404.85 ± 1.00 K NIST
Tboil 406.55 ± 0.50 K NIST
Tc 588.00 K KDB
Tfus 153.00 K KDB
Vc 0.499 m3/kmol KDB
Zc 0.2540970 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [273.89; 359.82] J/mol×K [401.65; 579.13] Show Hide
Cp,gas 273.89 J/mol×K 401.65 Joback Calculated Property
Cp,gas 289.98 J/mol×K 431.23 Joback Calculated Property
Cp,gas 305.33 J/mol×K 460.81 Joback Calculated Property
Cp,gas 319.96 J/mol×K 490.39 Joback Calculated Property
Cp,gas 333.90 J/mol×K 519.97 Joback Calculated Property
Cp,gas 347.18 J/mol×K 549.55 Joback Calculated Property
Cp,gas 359.82 J/mol×K 579.13 Joback Calculated Property
η [0.0002558; 0.0222427] Pa×s [178.61; 401.65] Show Hide
η 0.0222427 Pa×s 178.61 Joback Calculated Property
η 0.0055664 Pa×s 215.78 Joback Calculated Property
η 0.0020930 Pa×s 252.96 Joback Calculated Property
η 0.0010112 Pa×s 290.13 Joback Calculated Property
η 0.0005763 Pa×s 327.30 Joback Calculated Property
η 0.0003684 Pa×s 364.48 Joback Calculated Property
η 0.0002558 Pa×s 401.65 Joback Calculated Property
ΔvapH [34.77; 42.20] kJ/mol [270.50; 406.80] Show Hide
ΔvapH 42.20 kJ/mol 270.50 NIST
ΔvapH 34.77 kJ/mol 406.80 KDB
n0 1.40820 298.15 KDB
ρl 729.00 kg/m3 293.00 KDB
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [296.04; 434.69] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.40222e+01
Coefficient B-3.30174e+03
Coefficient C-5.56440e+01
Temperature range, min.296.04
Temperature range, max.434.69
Pvap 1.33 kPa 296.04 Calculated Property
Pvap 3.05 kPa 311.45 Calculated Property
Pvap 6.35 kPa 326.85 Calculated Property
Pvap 12.21 kPa 342.26 Calculated Property
Pvap 21.98 kPa 357.66 Calculated Property
Pvap 37.36 kPa 373.07 Calculated Property
Pvap 60.46 kPa 388.47 Calculated Property
Pvap 93.77 kPa 403.88 Calculated Property
Pvap 140.12 kPa 419.28 Calculated Property
Pvap 202.66 kPa 434.69 Calculated Property
Pvap [0.02; 2479.20] kPa [238.15; 588.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.12646e+01
Coefficient B-7.58830e+03
Coefficient C-9.81514e+00
Coefficient D5.91435e-06
Temperature range, min.238.15
Temperature range, max.588.00
Pvap 0.02 kPa 238.15 Calculated Property
Pvap 0.42 kPa 277.02 Calculated Property
Pvap 3.83 kPa 315.89 Calculated Property
Pvap 19.89 kPa 354.77 Calculated Property
Pvap 70.39 kPa 393.64 Calculated Property
Pvap 190.98 kPa 432.51 Calculated Property
Pvap 429.25 kPa 471.38 Calculated Property
Pvap 842.48 kPa 510.26 Calculated Property
Pvap 1498.21 kPa 549.13 Calculated Property
Pvap 2479.20 kPa 588.00 Calculated Property

Similar Compounds

Hexane, 3-ethyl-2,2-dimethyl-. Heptane, 2,2,3-trimethyl-. Nonane, 2,2,3-trimethyl-. Decane, 2,2,3-trimethyl-. Heptane, 3,3,4-trimethyl-. Heptane, 2,2,3,5-tetramethyl-. Heptane, 3,4,4-trimethyl-. Hexane, 2,2,3,5-tetramethyl-. Heptane, 5-ethyl-2,2,3-trimethyl-. Hexane, 2,2,3,4-tetramethyl-. Hexane, 2,3,3-trimethyl-. Hexane, 3,3,4-trimethyl-. Cyclohexane, 1-(1,1-dimethylethyl)-4-methyl-. Cyclohexane, 1-(1,1-dimethylethyl)-4-methyl-, trans. Cyclohexane, 1-(1,1-dimethylethyl)-4-methyl-, cis.

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

Sources

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