Chemical Properties of Octane, 2-methyl- (CAS 3221-61-2)

Octane, 2-methyl-

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InChI
InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
InChI Key
ZUBZATZOEPUUQF-UHFFFAOYSA-N
Formula
C9H20
SMILES
CCCCCCC(C)C
Molecular Weight1
128.26
CAS
3221-61-2
Other Names
  • 2-Methyloctane
  • Isononane
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Physical Properties

Property Value Unit Source
ω 0.4230 KDB
AP 350.650 K KDB
Δf 24.83 kJ/mol KDB
Δc,grossH 6119.27 kJ/mol KDB
Δc,netH 5679.153 kJ/mol KDB
Δfgas -229.20 kJ/mol KDB
Δfus 15.54 kJ/mol Joback Calculated Property
Δvap 44.90 kJ/mol NIST
log10WS -3.35 Crippen Calculated Property
logPoct/wat 3.613 Crippen Calculated Property
McVol 137.670 ml/mol McGowan Calculated Property
Pc [2310.00; 2310.00] kPa Show Hide
Pc 2310.00 kPa KDB
Pc 2310.00 ± 20.00 kPa NIST
Pc 2310.00 ± 50.00 kPa NIST
Pc 2310.00 ± 20.68 kPa NIST
Inp [855.00; 887.00]   Show Hide
Inp 865.00 NIST
Inp 864.00 NIST
Inp 866.00 NIST
Inp 866.00 NIST
Inp 864.00 NIST
Inp 864.00 NIST
Inp 864.00 NIST
Inp 864.30 NIST
Inp 864.70 NIST
Inp 865.70 NIST
Inp 865.70 NIST
Inp 863.00 NIST
Inp 864.80 NIST
Inp 864.10 NIST
Inp 864.10 NIST
Inp 865.00 NIST
Inp 865.00 NIST
Inp 864.30 NIST
Inp 868.00 NIST
Inp 862.00 NIST
Inp 862.00 NIST
Inp 863.00 NIST
Inp 863.00 NIST
Inp 863.00 NIST
Inp 864.70 NIST
Inp 865.00 NIST
Inp 864.00 NIST
Inp 865.00 NIST
Inp 865.00 NIST
Inp 864.00 NIST
Inp 865.00 NIST
Inp 866.00 NIST
Inp 858.00 NIST
Inp 864.90 NIST
Inp 864.00 NIST
Inp 863.00 NIST
Inp 862.00 NIST
Inp 858.00 NIST
Inp Outlier 875.40 NIST
Inp 868.00 NIST
Inp 865.00 NIST
Inp 865.00 NIST
Inp 858.00 NIST
Inp 866.80 NIST
Inp 860.20 NIST
Inp 864.80 NIST
Inp 856.30 NIST
Inp 862.30 NIST
Inp 864.00 NIST
Inp 864.17 NIST
Inp 864.60 NIST
Inp 864.77 NIST
Inp 865.00 NIST
Inp 865.00 NIST
Inp 866.36 NIST
Inp 866.49 NIST
Inp 866.60 NIST
Inp 865.63 NIST
Inp 865.75 NIST
Inp 865.92 NIST
Inp 863.00 NIST
Inp 866.50 NIST
Inp Outlier 855.00 NIST
Inp 861.00 NIST
Inp Outlier 884.05 NIST
Inp 865.00 NIST
Inp 864.00 NIST
Inp 865.00 NIST
Inp 865.00 NIST
Inp 865.00 NIST
Inp 868.00 NIST
Inp 871.00 NIST
Inp 867.00 NIST
Inp Outlier 876.00 NIST
Inp 858.00 NIST
Inp 865.00 NIST
Inp 871.00 NIST
Inp 868.00 NIST
Inp 872.00 NIST
Inp 865.00 NIST
Inp 862.00 NIST
Inp 869.00 NIST
Inp Outlier 887.00 NIST
Inp 870.00 NIST
Inp Outlier 855.00 NIST
Inp 865.00 NIST
Inp 865.00 NIST
Inp 858.00 NIST
Inp 865.00 NIST
Inp 874.00 NIST
Inp 865.00 NIST
Inp 866.00 NIST
Inp 864.00 NIST
Inp 864.00 NIST
Inp 868.00 NIST
Inp 862.00 NIST
Inp 865.00 NIST
Inp 856.30 NIST
Inp 864.77 NIST
Inp 866.60 NIST
Inp 864.00 NIST
Inp 865.70 NIST
Inp 862.00 NIST
Inp 858.00 NIST
Inp Outlier 887.00 NIST
I [858.00; 882.00]   Show Hide
I 864.00 NIST
I 865.00 NIST
I 882.00 NIST
I 858.00 NIST
I 864.00 NIST
Tboil [415.00; 416.65] K Show Hide
Tboil 416.43 K KDB
Tboil 416.40 K NIST
Tboil Outlier 415.00 ± 3.00 K NIST
Tboil 416.65 ± 1.00 K NIST
Tboil 416.41 ± 0.10 K NIST
Tboil 416.50 ± 0.30 K NIST
Tboil 416.50 ± 0.30 K NIST
Tboil 416.41 ± 0.20 K NIST
Tboil 415.25 ± 0.40 K NIST
Tboil 415.95 ± 0.40 K NIST
Tboil 415.95 ± 0.50 K NIST
Tboil 416.40 ± 0.15 K NIST
Tboil 415.95 ± 0.70 K NIST
Tboil 415.95 ± 0.30 K NIST
Tboil 415.95 ± 0.30 K NIST
Tc [582.80; 582.87] K Show Hide
Tc 582.80 K KDB
Tc 582.80 ± 0.10 K NIST
Tc 582.87 ± 0.30 K NIST
Tc 582.87 ± 0.20 K NIST
Tfus [192.66; 193.05] K Show Hide
Tfus 192.78 K KDB
Tfus 192.75 ± 0.15 K NIST
Tfus 193.05 ± 0.20 K NIST
Tfus 192.66 ± 0.10 K NIST
Vc 0.533 m3/kmol KDB
Zc 0.2543260 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [272.60; 351.89] J/mol×K [404.88; 571.57] Show Hide
Cp,gas 272.60 J/mol×K 404.88 Joback Calculated Property
Cp,gas 287.11 J/mol×K 432.66 Joback Calculated Property
Cp,gas 301.08 J/mol×K 460.44 Joback Calculated Property
Cp,gas 314.53 J/mol×K 488.22 Joback Calculated Property
Cp,gas 327.48 J/mol×K 516.01 Joback Calculated Property
Cp,gas 339.92 J/mol×K 543.79 Joback Calculated Property
Cp,gas 351.89 J/mol×K 571.57 Joback Calculated Property
η [0.0002341; 0.0108182] Pa×s [176.19; 404.88] Show Hide
η 0.0108182 Pa×s 176.19 Joback Calculated Property
η 0.0032357 Pa×s 214.31 Joback Calculated Property
η 0.0013934 Pa×s 252.42 Joback Calculated Property
η 0.0007485 Pa×s 290.53 Joback Calculated Property
η 0.0004644 Pa×s 328.65 Joback Calculated Property
η 0.0003182 Pa×s 366.76 Joback Calculated Property
η 0.0002341 Pa×s 404.88 Joback Calculated Property
ΔfusH 17.99 kJ/mol 192.80 NIST
ΔvapH [36.65; 43.20] kJ/mol [361.00; 416.20] Show Hide
ΔvapH 43.20 kJ/mol 361.00 NIST
ΔvapH 36.65 kJ/mol 416.20 KDB
n0 1.40080 298.15 KDB
ρl [649.70; 723.20] kg/m3 [283.15; 373.15] Show Hide
ρl 723.20 kg/m3 283.15 Density...
ρl 723.20 kg/m3 283.15 Density...
ρl 713.00 kg/m3 293.00 KDB
ρl 715.40 kg/m3 293.15 Density...
ρl 715.30 kg/m3 293.15 Density...
ρl 707.60 kg/m3 303.15 Density...
ρl 707.40 kg/m3 303.15 Density...
ρl 699.40 kg/m3 313.15 Density...
ρl 699.60 kg/m3 313.15 Density...
ρl 691.40 kg/m3 323.15 Density...
ρl 691.60 kg/m3 323.15 Density...
ρl 683.30 kg/m3 333.15 Density...
ρl 675.10 kg/m3 343.15 Density...
ρl 666.70 kg/m3 353.15 Density...
ρl 658.20 kg/m3 363.15 Density...
ρl 649.70 kg/m3 373.15 Density...
γ 0.02 N/m 298.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [304.56; 444.21] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.44193e+01
Coefficient B-3.57795e+03
Coefficient C-5.13690e+01
Temperature range, min.304.56
Temperature range, max.444.21
Pvap 1.33 kPa 304.56 Calculated Property
Pvap 3.02 kPa 320.08 Calculated Property
Pvap 6.24 kPa 335.59 Calculated Property
Pvap 11.97 kPa 351.11 Calculated Property
Pvap 21.54 kPa 366.63 Calculated Property
Pvap 36.69 kPa 382.14 Calculated Property
Pvap 59.57 kPa 397.66 Calculated Property
Pvap 92.78 kPa 413.18 Calculated Property
Pvap 139.33 kPa 428.69 Calculated Property
Pvap 202.64 kPa 444.21 Calculated Property
Pvap [1.80e-05; 2223.37] kPa [192.78; 586.75] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.56228e+01
Coefficient B-8.16941e+03
Coefficient C-1.03339e+01
Coefficient D5.46510e-06
Temperature range, min.192.78
Temperature range, max.586.75
Pvap 1.80e-05 kPa 192.78 Calculated Property
Pvap 6.14e-03 kPa 236.55 Calculated Property
Pvap 0.26 kPa 280.33 Calculated Property
Pvap 3.49 kPa 324.10 Calculated Property
Pvap 22.32 kPa 367.88 Calculated Property
Pvap 89.27 kPa 411.65 Calculated Property
Pvap 260.42 kPa 455.43 Calculated Property
Pvap 611.08 kPa 499.20 Calculated Property
Pvap 1230.61 kPa 542.98 Calculated Property
Pvap 2223.37 kPa 586.75 Calculated Property

Similar Compounds

Heptadecane, 2-methyl-. Tetradecane, 2-methyl-. 2-Methyltritriacontane. Tridecane, 2-methyl-. Eicosane, 2-methyl-. Decane, 2-methyl-. Hexadecane, 2-methyl-. Tricosane, 2-methyl-. 2-Methylpentatriacontane. Pentadecane, 2-methyl-. Nonane, 2-methyl-. 2-Methyldocosane. 2-Methylnonacosane. 2-Methyloctacosane. Octadecane, 2-methyl-.

Find more compounds similar to Octane, 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.