Chemical Properties of Hexane, 2-methyl- (CAS 591-76-4)

Hexane, 2-methyl-

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InChI
InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3
InChI Key
GXDHCNNESPLIKD-UHFFFAOYSA-N
Formula
C7H16
SMILES
CCCCC(C)C
Molecular Weight1
100.20
CAS
591-76-4
Other Names
  • 2-Methylhexane
  • ISOHEPTANE
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Physical Properties

Property Value Unit Source
ω 0.3290 KDB
AP 347.150 K KDB
Δcliquid [-4811.50; -4810.00] kJ/mol Show
Δcliquid -4811.50 ± 1.20 kJ/mol NIST
Δcliquid -4810.00 ± 1.00 kJ/mol NIST
μ 0.00 debye KDB
Δf 3.22 kJ/mol KDB
Δc,grossH 4811.48 kJ/mol KDB
Δc,netH 4459.350 kJ/mol KDB
Δfgas [-196.20; -195.00] kJ/mol Show
Δfgas -195.10 kJ/mol KDB
Δfgas -195.00 ± 1.30 kJ/mol NIST
Δfgas -196.20 kJ/mol NIST
Δfliquid [-231.00; -229.80] kJ/mol Show
Δfliquid -229.80 ± 1.30 kJ/mol NIST
Δfliquid -231.00 ± 1.00 kJ/mol NIST
Δfus 10.36 kJ/mol Joback Calculated Property
Δvap [34.80; 34.98] kJ/mol Show
Δvap 34.98 kJ/mol NIST
Δvap 34.90 ± 0.10 kJ/mol NIST
Δvap 34.80 kJ/mol NIST
Δvap 34.80 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 [2732.80; 2756.04] kPa Show
Pc 2740.00 kPa KDB
Pc 2740.00 ± 20.00 kPa NIST
Pc 2750.00 ± 25.00 kPa NIST
Pc 2732.80 ± 40.53 kPa NIST
Pc 2756.04 ± 50.66 kPa NIST
ρc [238.48; 238.48] kg/m3 Show
ρc 238.48 ± 2.00 kg/m3 NIST
ρc 238.48 ± 5.01 kg/m3 NIST
Inp [654.00; 676.00]   Show
Inp 666.90 NIST
Inp 667.30 NIST
Inp 667.00 NIST
Inp 665.00 NIST
Inp 667.00 NIST
Inp 667.80 NIST
Inp 664.70 NIST
Inp 666.00 NIST
Inp 667.80 NIST
Inp 667.80 NIST
Inp 667.80 NIST
Inp 667.80 NIST
Inp 667.70 NIST
Inp 665.00 NIST
Inp 667.60 NIST
Inp 667.70 NIST
Inp 667.60 NIST
Inp 668.10 NIST
Inp 666.60 NIST
Inp 666.90 NIST
Inp 668.00 NIST
Inp 668.00 NIST
Inp 666.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 666.10 NIST
Inp 666.40 NIST
Inp 667.10 NIST
Inp 667.40 NIST
Inp 667.50 NIST
Inp 667.60 NIST
Inp 666.00 NIST
Inp 666.00 NIST
Inp 666.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 667.80 NIST
Inp 667.80 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 668.00 NIST
Inp 667.00 NIST
Inp 666.00 NIST
Inp 667.00 NIST
Inp 663.00 NIST
Inp 666.60 NIST
Inp 667.10 NIST
Inp 666.60 NIST
Inp 666.20 NIST
Inp 666.00 NIST
Inp 666.00 NIST
Inp 668.00 NIST
Inp 668.00 NIST
Inp 667.00 NIST
Inp 669.00 NIST
Inp 667.80 NIST
Inp 667.80 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 669.01 NIST
Inp 669.50 NIST
Inp 669.95 NIST
Inp 668.35 NIST
Inp 668.68 NIST
Inp 665.00 NIST
Inp 665.00 NIST
Inp 665.00 NIST
Inp 665.00 NIST
Inp 666.00 NIST
Inp 666.90 NIST
Inp 668.00 NIST
Inp 668.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 670.00 NIST
Inp 666.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 666.00 NIST
Inp 666.50 NIST
Inp 666.00 NIST
Inp 666.00 NIST
Inp 667.00 NIST
Inp 668.00 NIST
Inp 666.00 NIST
Inp 666.00 NIST
Inp 666.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 668.00 NIST
Inp 667.00 NIST
Inp 659.00 NIST
Inp 659.00 NIST
Inp Outlier 658.00 NIST
Inp 667.60 NIST
Inp 671.00 NIST
Inp 664.80 NIST
Inp Outlier 656.80 NIST
Inp Outlier 657.59 NIST
Inp 663.60 NIST
Inp 662.90 NIST
Inp Outlier 656.90 NIST
Inp 659.60 NIST
Inp 660.46 NIST
Inp 660.54 NIST
Inp 667.00 NIST
Inp 661.02 NIST
Inp 661.15 NIST
Inp 661.00 NIST
Inp 667.40 NIST
Inp 667.70 NIST
Inp 667.40 NIST
Inp 659.00 NIST
Inp 658.98 NIST
Inp 663.00 NIST
Inp 667.00 NIST
Inp 664.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 668.00 NIST
Inp 667.00 NIST
Inp Outlier 657.00 NIST
Inp 667.00 NIST
Inp Outlier 654.00 NIST
Inp 668.00 NIST
Inp 662.50 NIST
Inp 662.00 NIST
Inp 662.00 NIST
Inp 664.00 NIST
Inp 663.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 669.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp Outlier 658.18 NIST
Inp 663.00 NIST
Inp 666.00 NIST
Inp 666.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 667.00 NIST
Inp 662.00 NIST
Inp 662.00 NIST
Inp 667.00 NIST
Inp Outlier 658.00 NIST
Inp 659.00 NIST
Inp 667.00 NIST
Inp Outlier 676.00 NIST
Inp Outlier 674.00 NIST
Inp Outlier 676.00 NIST
Inp Outlier 674.00 NIST
Inp 667.60 NIST
Inp 666.90 NIST
Inp 667.80 NIST
Inp 667.70 NIST
Inp 668.00 NIST
Inp 666.10 NIST
Inp 667.00 NIST
Inp 663.00 NIST
Inp 666.00 NIST
Inp 669.00 NIST
Inp 668.68 NIST
Inp Outlier 658.18 NIST
Inp Outlier 658.00 NIST
Inp Outlier 676.00 NIST
Inp 658.98 NIST
Inp 664.80 NIST
Inp Outlier 656.90 NIST
Inp 661.02 NIST
Inp 667.40 NIST
Inp 659.00 NIST
I [650.00; 650.00]   Show
I 650.00 NIST
I 650.00 NIST
gas 419.99 J/mol×K NIST
liquid [314.60; 323.34] J/mol×K Show
liquid 323.34 J/mol×K NIST
liquid 315.10 J/mol×K NIST
liquid 314.60 J/mol×K NIST
Tboil 363.19 K KDB
Tc 530.40 K KDB
Tfus [152.85; 154.95] K Show
Tfus 154.90 K KDB
Tfus 154.87 ± 0.02 K NIST
Tfus 154.86 ± 0.04 K NIST
Tfus 154.85 ± 0.02 K NIST
Tfus 154.86 ± 0.03 K NIST
Tfus 154.88 ± 0.02 K NIST
Tfus 154.39 ± 0.05 K NIST
Tfus 154.87 ± 0.03 K NIST
Tfus 154.95 ± 0.50 K NIST
Tfus 154.91 ± 0.30 K NIST
Tfus 154.89 ± 0.20 K NIST
Tfus 154.89 ± 0.20 K NIST
Tfus 154.82 ± 0.03 K NIST
Tfus 154.83 ± 0.02 K NIST
Tfus 154.88 ± 0.02 K NIST
Tfus 154.65 ± 0.30 K NIST
Tfus 154.65 ± 0.50 K NIST
Tfus 154.95 ± 0.50 K NIST
Tfus Outlier 152.85 ± 0.30 K NIST
Tfus 154.95 ± 0.50 K NIST
Tfus 154.25 ± 0.20 K NIST
Tfus 154.05 ± 0.50 K NIST
Tfus 154.05 ± 0.50 K NIST
Tfus 154.05 ± 0.50 K NIST
Ttriple [154.00; 154.90] K Show
Ttriple 154.86 ± 0.09 K NIST
Ttriple 154.90 ± 0.06 K NIST
Ttriple 154.86 ± 0.04 K NIST
Ttriple 154.90 ± 0.02 K NIST
Ttriple 154.00 ± 0.20 K NIST
Ttriple 154.00 ± 0.20 K NIST
Vc [0.421; 0.421] m3/kmol Show
Vc 0.421 m3/kmol KDB
Vc 0.421 m3/kmol NIST
Zc 0.2615730 KDB
Zra 0.26 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [194.02; 260.72] J/mol×K [359.12; 526.54] Show
T(K)
Ideal gas heat capacity (J/mol×K)
190
200
210
220
230
240
250
260
400
450
500
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 [219.20; 222.92] J/mol×K [292.40; 298.15] Show
Cp,liquid 219.20 J/mol×K 292.40 NIST
Cp,liquid 222.92 J/mol×K 298.15 NIST
η [0.0002348; 0.0099972] Pa×s [153.65; 359.12] Show
T(K)
Dynamic viscosity (Pa×s)
0
2.00e-3
4.00e-3
6.00e-3
8.00e-3
0.01
200
300
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
ΔfusH [8.87; 9.18] kJ/mol [154.00; 154.90] Show
T(K)
Enthalpy of fusion at a given temperature (kJ/mol)
8.85
8.9
8.95
9
9.05
9.1
9.15
9.2
154
154.5
ΔfusH 8.87 kJ/mol 154.00 NIST
ΔfusH 8.87 kJ/mol 154.00 NIST
ΔfusH 9.18 kJ/mol 154.90 NIST
ΔfusH 9.18 kJ/mol 154.90 NIST
ΔfusH 9.18 kJ/mol 154.90 NIST
ΔvapH [30.62; 34.80] kJ/mol [313.00; 363.20] Show
T(K)
Enthalpy of vaporization at a given temperature (kJ/mol)
31
32
33
34
35
320
340
360
ΔvapH 33.90 ± 0.10 kJ/mol 313.00 NIST
ΔvapH 34.80 kJ/mol 327.50 NIST
ΔvapH 34.60 kJ/mol 330.50 NIST
ΔvapH 32.70 ± 0.10 kJ/mol 333.00 NIST
ΔvapH 31.30 ± 0.10 kJ/mol 353.00 NIST
ΔvapH 30.62 kJ/mol 363.20 NIST
ΔvapH 30.67 kJ/mol 363.20 KDB
n0 1.38227 298.15 KDB
ρl 679.00 kg/m3 293.00 KDB
ΔfusS [57.60; 59.29] J/mol×K [154.00; 154.90] Show
ΔfusS 57.60 J/mol×K 154.00 NIST
ΔfusS 57.60 J/mol×K 154.00 NIST
ΔfusS 59.29 J/mol×K 154.90 NIST
γ 0.02 N/m 298.20 KDB
λ [0.10; 0.12] W/m×K [256.24; 338.11] Show
T(K)
Liquid thermal conductivity (W/m×K)
0.1
0.11
0.11
0.12
0.12
0.13
300
λ 0.12 W/m×K 256.24 Thermal...
λ 0.12 W/m×K 256.67 Thermal...
λ 0.12 W/m×K 257.02 Thermal...
λ 0.12 W/m×K 275.56 Thermal...
λ 0.12 W/m×K 276.00 Thermal...
λ 0.12 W/m×K 276.39 Thermal...
λ 0.11 W/m×K 296.46 Thermal...
λ 0.11 W/m×K 296.93 Thermal...
λ 0.11 W/m×K 297.40 Thermal...
λ 0.10 W/m×K 317.40 Thermal...
λ 0.10 W/m×K 317.92 Thermal...
λ 0.10 W/m×K 318.35 Thermal...
λ 0.10 W/m×K 337.10 Thermal...
λ 0.10 W/m×K 337.65 Thermal...
λ 0.10 W/m×K 338.11 Thermal...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [263.60; 388.11] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.42374e+01
Coefficient B-3.08596e+03
Coefficient C-4.23820e+01
Temperature range, min.263.60
Temperature range, max.388.11
T(K)
Vapor pressure (kPa)
0
50
100
150
200
300
350
Pvap 1.33 kPa 263.60 Calculated Property
Pvap 3.03 kPa 277.43 Calculated Property
Pvap 6.29 kPa 291.27 Calculated Property
Pvap 12.08 kPa 305.10 Calculated Property
Pvap 21.73 kPa 318.94 Calculated Property
Pvap 36.98 kPa 332.77 Calculated Property
Pvap 59.96 kPa 346.61 Calculated Property
Pvap 93.22 kPa 360.44 Calculated Property
Pvap 139.68 kPa 374.28 Calculated Property
Pvap 202.64 kPa 388.11 Calculated Property
Pvap [1.91e-06; 2759.35] kPa [154.90; 530.37] KDB Vap... Show
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.26032e+01
Coefficient B-7.22527e+03
Coefficient C-1.17722e+01
Coefficient D9.94213e-06
Temperature range, min.154.90
Temperature range, max.530.37
T(K)
Vapor pressure (kPa)
0
500
1000
1500
2000
2500
3000
200
300
400
500
Pvap 1.91e-06 kPa 154.90 Calculated Property
Pvap 2.65e-03 kPa 196.62 Calculated Property
Pvap 0.20 kPa 238.34 Calculated Property
Pvap 3.48 kPa 280.06 Calculated Property
Pvap 24.71 kPa 321.78 Calculated Property
Pvap 102.85 kPa 363.49 Calculated Property
Pvap 304.75 kPa 405.21 Calculated Property
Pvap 723.26 kPa 446.93 Calculated Property
Pvap 1482.46 kPa 488.65 Calculated Property
Pvap 2759.35 kPa 530.37 Calculated Property

Similar Compounds

Hexane, 2,5-dimethyl-. Heptane, 2-methyl-. 2-Methylheptane-d18. 2-Methylpentacosane. Tridecane, 2-methyl-. 2-Methylnonacosane. Nonane, 2-methyl-. 2-Methylpentatriacontane. Tetradecane, 2-methyl-. 2-Methyldocosane. Hexadecane, 2-methyl-. Heneicosane, 2-methyl. Tricosane, 2-methyl-. Decane, 2-methyl-. 2-Methyloctacosane.

Find more compounds similar to Hexane, 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.