Chemical Properties of Heptane, 3-methyl- (CAS 589-81-1)

Heptane, 3-methyl-

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InChI
InChI=1S/C8H18/c1-4-6-7-8(3)5-2/h8H,4-7H2,1-3H3
InChI Key
LAIUFBWHERIJIH-UHFFFAOYSA-N
Formula
C8H18
SMILES
CCCCC(C)CC
Molecular Weight1
114.23
CAS
589-81-1
Other Names
  • (3RS)-3-methylheptane
  • 2-ETHYLHEXANE
  • 3-METHYLHEPTANE
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Physical Properties

Property Value Unit Source
ω 0.3700 KDB
AP 345.350 K KDB
Δcliquid -5468.20 ± 1.30 kJ/mol NIST
Δf 13.73 kJ/mol KDB
Δc,grossH 5468.15 kJ/mol KDB
Δc,netH 5072.012 kJ/mol KDB
Δfgas [-212.80; -212.60] kJ/mol Show Hide
Δfgas -212.80 kJ/mol KDB
Δfgas -212.60 ± 1.10 kJ/mol NIST
Δfliquid -252.50 ± 1.10 kJ/mol NIST
Δfus 12.95 kJ/mol Joback Calculated Property
Δvap [39.80; 39.88] kJ/mol Show Hide
Δvap 39.88 kJ/mol NIST
Δvap 39.80 ± 0.20 kJ/mol NIST
Δvap 39.80 kJ/mol NIST
Δvap 39.80 ± 0.10 kJ/mol NIST
Δvap 39.83 kJ/mol NIST
log10WS [-5.16; -5.16]   Show Hide
log10WS -5.16 Aq. Sol...
log10WS -5.16 Estimat...
logPoct/wat 3.223 Crippen Calculated Property
McVol 123.580 ml/mol McGowan Calculated Property
Pc [2546.00; 2550.00] kPa Show Hide
Pc 2550.00 kPa KDB
Pc 2550.00 ± 40.00 kPa NIST
Pc 2546.00 ± 40.53 kPa NIST
ρc [245.59; 245.59] kg/m3 Show Hide
ρc 245.59 ± 4.57 kg/m3 NIST
ρc 245.59 ± 4.57 kg/m3 NIST
Inp [762.00; 784.63]   Show Hide
Inp 773.80 NIST
Inp 773.00 NIST
Inp 772.00 NIST
Inp Outlier 763.50 NIST
Inp 771.90 NIST
Inp 776.60 NIST
Inp 778.00 NIST
Inp 772.00 NIST
Inp 774.00 NIST
Inp 775.00 NIST
Inp 774.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 772.00 NIST
Inp 772.80 NIST
Inp 773.30 NIST
Inp 773.50 NIST
Inp 773.90 NIST
Inp 774.10 NIST
Inp 772.00 NIST
Inp 772.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 774.20 NIST
Inp 774.30 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 774.00 NIST
Inp 773.00 NIST
Inp Outlier 762.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 775.00 NIST
Inp 772.60 NIST
Inp 773.00 NIST
Inp 772.80 NIST
Inp 773.00 NIST
Inp 773.00 NIST
Inp 772.00 NIST
Inp 772.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 775.11 NIST
Inp 775.75 NIST
Inp 776.18 NIST
Inp 774.38 NIST
Inp 774.76 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 774.00 NIST
Inp 774.00 NIST
Inp 772.00 NIST
Inp 770.00 NIST
Inp 771.00 NIST
Inp 771.00 NIST
Inp 771.00 NIST
Inp 772.00 NIST
Inp 772.20 NIST
Inp 775.00 NIST
Inp 774.00 NIST
Inp 773.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 773.00 NIST
Inp 775.00 NIST
Inp 770.00 NIST
Inp 773.00 NIST
Inp 772.00 NIST
Inp 772.00 NIST
Inp 772.00 NIST
Inp 772.00 NIST
Inp 774.00 NIST
Inp 773.00 NIST
Inp 773.50 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 774.00 NIST
Inp 774.00 NIST
Inp 769.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 773.00 NIST
Inp 770.00 NIST
Inp 769.00 NIST
Inp 769.00 NIST
Inp 771.70 NIST
Inp 776.00 NIST
Inp 773.00 NIST
Inp Outlier 783.00 NIST
Inp 774.30 NIST
Inp 769.27 NIST
Inp 769.73 NIST
Inp Outlier 764.58 NIST
Inp 770.80 NIST
Inp 772.10 NIST
Inp 768.70 NIST
Inp 769.00 NIST
Inp 770.31 NIST
Inp 771.67 NIST
Inp 770.68 NIST
Inp 770.98 NIST
Inp 771.00 NIST
Inp 771.00 NIST
Inp 773.70 NIST
Inp 773.30 NIST
Inp 772.90 NIST
Inp 773.42 NIST
Inp 773.79 NIST
Inp 774.07 NIST
Inp 773.02 NIST
Inp 773.47 NIST
Inp 773.76 NIST
Inp 769.00 NIST
Inp Outlier 767.00 NIST
Inp Outlier 784.63 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 774.00 NIST
Inp 774.00 NIST
Inp 773.00 NIST
Inp Outlier 765.00 NIST
Inp 775.00 NIST
Inp 771.00 NIST
Inp 774.00 NIST
Inp 772.20 NIST
Inp 773.00 NIST
Inp 775.00 NIST
Inp 770.00 NIST
Inp 777.00 NIST
Inp Outlier 767.00 NIST
Inp 774.00 NIST
Inp 772.00 NIST
Inp 775.00 NIST
Inp 773.00 NIST
Inp 773.00 NIST
Inp 772.00 NIST
Inp 773.00 NIST
Inp 771.00 NIST
Inp 773.00 NIST
Inp 772.00 NIST
Inp Outlier 766.00 NIST
Inp 775.00 NIST
Inp 769.00 NIST
Inp 774.00 NIST
Inp 777.00 NIST
Inp Outlier 779.00 NIST
Inp 777.00 NIST
Inp Outlier 779.00 NIST
Inp 773.00 NIST
Inp Outlier 764.58 NIST
Inp 770.31 NIST
Inp 771.00 NIST
Inp 773.79 NIST
Inp 769.00 NIST
I [764.00; 764.00]   Show Hide
I 764.00 NIST
I 764.00 NIST
gas 465.89 ± 0.84 J/mol×K NIST
liquid 362.60 J/mol×K NIST
Tboil 392.09 K KDB
Tc [563.60; 563.70] K Show Hide
Tc 563.60 K KDB
Tc 563.60 ± 0.50 K NIST
Tc 563.70 K NIST
Tc 563.60 ± 0.40 K NIST
Tfus 152.60 K KDB
Ttriple 152.65 ± 0.01 K NIST
Vc [0.464; 0.464] m3/kmol Show Hide
Vc 0.464 m3/kmol KDB
Vc 0.464 m3/kmol NIST
Zc 0.2524940 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [232.14; 305.46] J/mol×K [382.00; 549.20] Show Hide
Cp,gas 232.14 J/mol×K 382.00 Joback Calculated Property
Cp,gas 245.53 J/mol×K 409.87 Joback Calculated Property
Cp,gas 258.44 J/mol×K 437.73 Joback Calculated Property
Cp,gas 270.88 J/mol×K 465.60 Joback Calculated Property
Cp,gas 282.86 J/mol×K 493.46 Joback Calculated Property
Cp,gas 294.38 J/mol×K 521.33 Joback Calculated Property
Cp,gas 305.46 J/mol×K 549.20 Joback Calculated Property
Cp,liquid [249.66; 250.20] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 250.20 J/mol×K 298.15 NIST
Cp,liquid 249.66 J/mol×K 298.15 NIST
η [0.0002373; 0.0105616] Pa×s [164.92; 382.00] Show Hide
η 0.0105616 Pa×s 164.92 Joback Calculated Property
η 0.0031758 Pa×s 201.10 Joback Calculated Property
η 0.0013776 Pa×s 237.28 Joback Calculated Property
η 0.0007454 Pa×s 273.46 Joback Calculated Property
η 0.0004656 Pa×s 309.64 Joback Calculated Property
η 0.0003209 Pa×s 345.82 Joback Calculated Property
η 0.0002373 Pa×s 382.00 Joback Calculated Property
ΔfusH [11.67; 11.70] kJ/mol [152.60; 152.60] Show Hide
ΔfusH 11.67 kJ/mol 152.60 NIST
ΔfusH 11.70 kJ/mol 152.60 NIST
ΔvapH [33.66; 41.60] kJ/mol [262.00; 392.10] Show Hide
ΔvapH 41.60 kJ/mol 262.00 NIST
ΔvapH 40.10 kJ/mol 339.50 NIST
ΔvapH 38.30 kJ/mol 354.50 NIST
ΔvapH 33.89 kJ/mol 392.10 KDB
ΔvapH 33.66 kJ/mol 392.10 NIST
n0 1.39610 298.15 KDB
ρl 706.00 kg/m3 293.00 KDB
γ 0.02 N/m 298.20 KDB
λ [0.11; 0.13] W/m×K [259.08; 332.51] Show Hide
λ 0.13 W/m×K 259.08 Thermal...
λ 0.13 W/m×K 259.32 Thermal...
λ 0.13 W/m×K 259.58 Thermal...
λ 0.12 W/m×K 277.99 Thermal...
λ 0.12 W/m×K 278.23 Thermal...
λ 0.12 W/m×K 278.37 Thermal...
λ 0.12 W/m×K 297.36 Thermal...
λ 0.12 W/m×K 297.63 Thermal...
λ 0.11 W/m×K 297.91 Thermal...
λ 0.11 W/m×K 315.56 Thermal...
λ 0.11 W/m×K 315.84 Thermal...
λ 0.11 W/m×K 316.12 Thermal...
λ 0.11 W/m×K 331.93 Thermal...
λ 0.11 W/m×K 332.21 Thermal...
λ 0.11 W/m×K 332.51 Thermal...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [285.09; 418.68] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.43862e+01
Coefficient B-3.40203e+03
Coefficient C-4.37910e+01
Temperature range, min.285.09
Temperature range, max.418.68
Pvap 1.33 kPa 285.09 Calculated Property
Pvap 3.02 kPa 299.93 Calculated Property
Pvap 6.25 kPa 314.78 Calculated Property
Pvap 11.99 kPa 329.62 Calculated Property
Pvap 21.57 kPa 344.46 Calculated Property
Pvap 36.73 kPa 359.31 Calculated Property
Pvap 59.63 kPa 374.15 Calculated Property
Pvap 92.85 kPa 388.99 Calculated Property
Pvap 139.39 kPa 403.84 Calculated Property
Pvap 202.63 kPa 418.68 Calculated Property
Pvap [4.80e-08; 2539.44] kPa [152.60; 563.67] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.08909e+01
Coefficient B-7.77747e+03
Coefficient C-1.13291e+01
Coefficient D7.90061e-06
Temperature range, min.152.60
Temperature range, max.563.67
Pvap 4.80e-08 kPa 152.60 Calculated Property
Pvap 3.52e-04 kPa 198.27 Calculated Property
Pvap 0.06 kPa 243.95 Calculated Property
Pvap 1.62 kPa 289.62 Calculated Property
Pvap 14.95 kPa 335.30 Calculated Property
Pvap 73.51 kPa 380.97 Calculated Property
Pvap 242.62 kPa 426.65 Calculated Property
Pvap 618.02 kPa 472.32 Calculated Property
Pvap 1326.19 kPa 518.00 Calculated Property
Pvap 2539.44 kPa 563.67 Calculated Property

Similar Compounds

2-C2D5-Hexane. 2-C2H5-Hexane-d13. (S)-3-methylheptane. Heptane, 2,5-dimethyl-. 3,13-Dimethylhentriacontane. 3,7-dimethyl-tritriacontane. 3,9,15-trimethylhentriacontane. Nonane, 3,7-dimethyl-. 3-methyl-heptacosane. Hexadecane, 2,6,10,14-tetramethyl-. Nonane, 2,7-dimethyl. Heptadecane, 3,7,11,15-tetramethyl. Eicosane, 3-methyl-. 3,11-Dimethyltricosane. Tetracosane, 3-methyl.

Find more compounds similar to Heptane, 3-methyl-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

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