Chemical Properties of Hexane, 3-methyl- (CAS 589-34-4)

Hexane, 3-methyl-

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InChI
InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
InChI Key
VLJXXKKOSFGPHI-UHFFFAOYSA-N
Formula
C7H16
SMILES
CCCC(C)CC
Molecular Weight1
100.20
CAS
589-34-4
Other Names
  • 2-ETHYLPENTANE
  • 3-METHYLHEXANE
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Physical Properties

Property Value Unit Source
ω 0.3230 KDB
AP 343.650 K KDB
Δcliquid [-4813.90; -4813.00] kJ/mol Show Hide
Δcliquid -4813.90 ± 1.20 kJ/mol NIST
Δcliquid -4813.00 ± 1.00 kJ/mol NIST
μ 0.00 debye KDB
Δf 4.60 kJ/mol KDB
Δc,grossH 4813.90 kJ/mol KDB
Δc,netH 4461.776 kJ/mol KDB
Δfgas [-192.90; -192.30] kJ/mol Show Hide
Δfgas -192.40 kJ/mol KDB
Δfgas -192.30 ± 1.30 kJ/mol NIST
Δfgas -192.90 kJ/mol NIST
Δfliquid [-228.00; -227.40] kJ/mol Show Hide
Δfliquid -227.40 ± 1.30 kJ/mol NIST
Δfliquid -228.00 ± 1.00 kJ/mol NIST
Δfus 10.36 kJ/mol Joback Calculated Property
Δvap [35.10; 35.16] kJ/mol Show Hide
Δvap 35.16 kJ/mol NIST
Δvap 35.10 ± 0.10 kJ/mol NIST
Δvap 35.10 kJ/mol NIST
log10WS -2.51 Crippen Calculated Property
logPoct/wat 2.833 Crippen Calculated Property
McVol 109.490 ml/mol McGowan Calculated Property
Pc [2810.00; 2850.00] kPa Show Hide
Pc 2810.00 kPa KDB
Pc 2810.00 ± 40.00 kPa NIST
Pc 2813.50 ± 40.53 kPa NIST
Pc 2850.00 ± 5133.40 kPa NIST
ρc [247.50; 248.50] kg/m3 Show Hide
ρc 247.50 ± 4.01 kg/m3 NIST
ρc 248.50 ± 5.01 kg/m3 NIST
Inp [664.00; 689.20]   Show Hide
Inp 675.90 NIST
Inp 676.60 NIST
Inp 676.00 NIST
Inp 674.00 NIST
Inp 677.00 NIST
Inp 678.20 NIST
Inp Outlier 689.20 NIST
Inp 675.50 NIST
Inp 679.30 NIST
Inp Outlier 682.30 NIST
Inp 675.00 NIST
Inp 677.00 NIST
Inp 678.00 NIST
Inp 678.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 675.80 NIST
Inp 676.80 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp 675.70 NIST
Inp 676.10 NIST
Inp 676.40 NIST
Inp 676.90 NIST
Inp 674.00 NIST
Inp 675.00 NIST
Inp 675.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 676.80 NIST
Inp 676.80 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 672.00 NIST
Inp 675.50 NIST
Inp 676.10 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp 677.00 NIST
Inp 677.00 NIST
Inp 676.00 NIST
Inp 678.50 NIST
Inp 671.10 NIST
Inp 673.20 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp 677.00 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp 678.51 NIST
Inp 679.09 NIST
Inp 679.75 NIST
Inp 677.32 NIST
Inp 677.95 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp 674.00 NIST
Inp 674.00 NIST
Inp 675.00 NIST
Inp 675.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 676.40 NIST
Inp 677.00 NIST
Inp 678.00 NIST
Inp 677.00 NIST
Inp 677.00 NIST
Inp 677.00 NIST
Inp 677.00 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp 677.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp 678.00 NIST
Inp 675.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp Outlier 683.00 NIST
Inp 678.00 NIST
Inp 675.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp 677.00 NIST
Inp 679.00 NIST
Inp Outlier 667.00 NIST
Inp 669.00 NIST
Inp 672.00 NIST
Inp 675.80 NIST
Inp 678.00 NIST
Inp 671.00 NIST
Inp 673.90 NIST
Inp Outlier 666.92 NIST
Inp Outlier 667.66 NIST
Inp 672.70 NIST
Inp 672.20 NIST
Inp 670.16 NIST
Inp 670.26 NIST
Inp 676.00 NIST
Inp 670.56 NIST
Inp 670.60 NIST
Inp 671.00 NIST
Inp 676.90 NIST
Inp 676.50 NIST
Inp 675.80 NIST
Inp 669.00 NIST
Inp 671.00 NIST
Inp 669.20 NIST
Inp 672.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp 678.00 NIST
Inp 677.00 NIST
Inp 669.00 NIST
Inp 676.00 NIST
Inp Outlier 664.00 NIST
Inp 676.00 NIST
Inp 672.00 NIST
Inp 674.00 NIST
Inp 672.20 NIST
Inp 670.00 NIST
Inp 674.00 NIST
Inp 677.00 NIST
Inp 672.00 NIST
Inp 676.00 NIST
Inp 675.00 NIST
Inp 673.00 NIST
Inp 678.00 NIST
Inp 677.00 NIST
Inp 677.00 NIST
Inp 676.00 NIST
Inp 671.00 NIST
Inp Outlier 668.04 NIST
Inp 672.00 NIST
Inp 676.00 NIST
Inp 675.00 NIST
Inp 676.00 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp 676.00 NIST
Inp 677.00 NIST
Inp Outlier 665.00 NIST
Inp 672.00 NIST
Inp 674.00 NIST
Inp 672.00 NIST
Inp 673.00 NIST
Inp 675.00 NIST
Inp Outlier 683.00 NIST
Inp Outlier 685.00 NIST
Inp Outlier 683.00 NIST
Inp Outlier 685.00 NIST
Inp 671.00 NIST
Inp 672.20 NIST
Inp 670.60 NIST
Inp 669.00 NIST
Inp Outlier 667.00 NIST
Inp 675.80 NIST
I 700.00 NIST
liquid 309.60 J/mol×K NIST
Tboil 364.99 K KDB
Tc [535.19; 535.55] K Show Hide
Tc 535.20 K KDB
Tc 535.20 ± 0.40 K NIST
Tc 535.20 K NIST
Tc 535.19 ± 0.40 K NIST
Tc 535.55 ± 0.50 K NIST
Tfus [153.70; 153.75] K Show Hide
Tfus 153.70 K KDB
Tfus 153.75 ± 0.50 K NIST
Vc [0.404; 0.404] m3/kmol Show Hide
Vc 0.404 m3/kmol KDB
Vc 0.404 m3/kmol NIST
Zc 0.2551140 KDB
Zra 0.27 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [194.02; 260.72] J/mol×K [359.12; 526.54] Show Hide
Cp,gas 194.02 J/mol×K 359.12 Joback Calculated Property
Cp,gas 206.19 J/mol×K 387.02 Joback Calculated Property
Cp,gas 217.92 J/mol×K 414.93 Joback Calculated Property
Cp,gas 229.23 J/mol×K 442.83 Joback Calculated Property
Cp,gas 240.13 J/mol×K 470.73 Joback Calculated Property
Cp,gas 250.62 J/mol×K 498.63 Joback Calculated Property
Cp,gas 260.72 J/mol×K 526.54 Joback Calculated Property
Cp,liquid [214.20; 216.70] J/mol×K [289.20; 289.20] Show Hide
Cp,liquid 216.70 J/mol×K 289.20 NIST
Cp,liquid 214.20 J/mol×K 289.20 NIST
η [0.0002348; 0.0099972] Pa×s [153.65; 359.12] Show Hide
η 0.0099972 Pa×s 153.65 Joback Calculated Property
η 0.0030264 Pa×s 187.90 Joback Calculated Property
η 0.0013243 Pa×s 222.14 Joback Calculated Property
η 0.0007226 Pa×s 256.38 Joback Calculated Property
η 0.0004548 Pa×s 290.63 Joback Calculated Property
η 0.0003156 Pa×s 324.88 Joback Calculated Property
η 0.0002348 Pa×s 359.12 Joback Calculated Property
ΔvapH [30.79; 35.10] kJ/mol [313.00; 365.00] Show Hide
ΔvapH 34.20 ± 0.10 kJ/mol 313.00 NIST
ΔvapH 35.10 kJ/mol 327.50 NIST
ΔvapH 34.90 kJ/mol 329.50 NIST
ΔvapH 32.90 ± 0.10 kJ/mol 333.00 NIST
ΔvapH 31.70 ± 0.10 kJ/mol 353.00 NIST
ΔvapH 30.89 kJ/mol 365.00 NIST
ΔvapH 30.79 kJ/mol 365.00 KDB
n0 1.38609 298.15 KDB
ρl 687.00 kg/m3 293.00 KDB
γ 0.02 N/m 298.20 KDB
λ [0.10; 0.12] W/m×K [256.62; 344.30] Show Hide
λ 0.12 W/m×K 256.62 Thermal...
λ 0.12 W/m×K 257.00 Thermal...
λ 0.12 W/m×K 257.38 Thermal...
λ 0.12 W/m×K 269.72 Thermal...
λ 0.12 W/m×K 270.11 Thermal...
λ 0.12 W/m×K 270.44 Thermal...
λ 0.12 W/m×K 284.90 Thermal...
λ 0.11 W/m×K 285.32 Thermal...
λ 0.11 W/m×K 285.66 Thermal...
λ 0.11 W/m×K 296.55 Thermal...
λ 0.11 W/m×K 296.95 Thermal...
λ 0.11 W/m×K 297.35 Thermal...
λ 0.11 W/m×K 311.54 Thermal...
λ 0.11 W/m×K 311.97 Thermal...
λ 0.11 W/m×K 312.34 Thermal...
λ 0.10 W/m×K 321.52 Thermal...
λ 0.10 W/m×K 321.98 Thermal...
λ 0.10 W/m×K 322.34 Thermal...
λ 0.10 W/m×K 322.34 Thermal...
λ 0.10 W/m×K 332.24 Thermal...
λ 0.10 W/m×K 332.69 Thermal...
λ 0.10 W/m×K 333.09 Thermal...
λ 0.10 W/m×K 343.42 Thermal...
λ 0.10 W/m×K 343.89 Thermal...
λ 0.10 W/m×K 344.28 Thermal...
λ 0.10 W/m×K 344.30 Thermal...
αdiff [6.32e-08; 8.59e-08] m2/s [257.59; 346.62] Show Hide
αdiff 8.59e-08 m2/s 257.59 Thermal...
αdiff 8.50e-08 m2/s 258.63 Thermal...
αdiff 8.43e-08 m2/s 259.54 Thermal...
αdiff 8.14e-08 m2/s 270.70 Thermal...
αdiff 8.10e-08 m2/s 271.73 Thermal...
αdiff 8.04e-08 m2/s 272.58 Thermal...
αdiff 7.81e-08 m2/s 285.92 Thermal...
αdiff 7.78e-08 m2/s 287.01 Thermal...
αdiff 7.72e-08 m2/s 287.89 Thermal...
αdiff 7.50e-08 m2/s 297.62 Thermal...
αdiff 7.47e-08 m2/s 298.65 Thermal...
αdiff 7.41e-08 m2/s 299.67 Thermal...
αdiff 7.22e-08 m2/s 312.60 Thermal...
αdiff 7.08e-08 m2/s 313.66 Thermal...
αdiff 7.07e-08 m2/s 314.60 Thermal...
αdiff 7.02e-08 m2/s 322.62 Thermal...
αdiff 6.94e-08 m2/s 323.75 Thermal...
αdiff 6.86e-08 m2/s 324.66 Thermal...
αdiff 6.87e-08 m2/s 324.66 Thermal...
αdiff 6.69e-08 m2/s 333.30 Thermal...
αdiff 6.61e-08 m2/s 334.41 Thermal...
αdiff 6.61e-08 m2/s 335.40 Thermal...
αdiff 6.42e-08 m2/s 344.46 Thermal...
αdiff 6.37e-08 m2/s 345.61 Thermal...
αdiff 6.32e-08 m2/s 346.56 Thermal...
αdiff 6.37e-08 m2/s 346.62 Thermal...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.67] kPa [264.32; 390.12] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43045e+01
Coefficient B-3.15633e+03
Coefficient C-3.91420e+01
Temperature range, min.264.32
Temperature range, max.390.12
Pvap 1.33 kPa 264.32 Calculated Property
Pvap 3.02 kPa 278.30 Calculated Property
Pvap 6.27 kPa 292.28 Calculated Property
Pvap 12.04 kPa 306.25 Calculated Property
Pvap 21.66 kPa 320.23 Calculated Property
Pvap 36.87 kPa 334.21 Calculated Property
Pvap 59.82 kPa 348.19 Calculated Property
Pvap 93.06 kPa 362.16 Calculated Property
Pvap 139.57 kPa 376.14 Calculated Property
Pvap 202.67 kPa 390.12 Calculated Property
Pvap [1.78e-06; 2795.09] kPa [153.75; 535.25] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.98000e+01
Coefficient B-6.76864e+03
Coefficient C-9.76975e+00
Coefficient D7.54692e-06
Temperature range, min.153.75
Temperature range, max.535.25
Pvap 1.78e-06 kPa 153.75 Calculated Property
Pvap 2.50e-03 kPa 196.14 Calculated Property
Pvap 0.20 kPa 238.53 Calculated Property
Pvap 3.38 kPa 280.92 Calculated Property
Pvap 24.47 kPa 323.31 Calculated Property
Pvap 103.66 kPa 365.69 Calculated Property
Pvap 311.00 kPa 408.08 Calculated Property
Pvap 742.27 kPa 450.47 Calculated Property
Pvap 1518.05 kPa 492.86 Calculated Property
Pvap 2795.09 kPa 535.25 Calculated Property

Similar Compounds

(S)-(+)-3-methylhexane. Heptane, 4-methyl-. Hexane, 3-ethyl-. Hexane, 2,4-dimethyl-. 2-C2H5-Hexane-d13. (S)-3-methylheptane. 2-C2D5-Hexane. Heptane, 3-methyl-. Heptane, 4-ethyl-. Hexane, 4-ethyl-2-methyl-. Heptane, 2,5-dimethyl-. 3,9,15-trimethylhentriacontane. 3,9-dimethyl-pentacosane. Hexacosane, 3-methyl. 3,13-dimethyl-pentacosane.

Find more compounds similar to Hexane, 3-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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