Chemical Properties of Heptane, 4-ethyl- (CAS 2216-32-2)

Heptane, 4-ethyl-

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InChI
InChI=1S/C9H20/c1-4-7-9(6-3)8-5-2/h9H,4-8H2,1-3H3
InChI Key
XMROPFQWHHUFFS-UHFFFAOYSA-N
Formula
C9H20
SMILES
CCCC(CC)CCC
Molecular Weight1
128.26
CAS
2216-32-2
Other Names
  • 4-Ethylheptane
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Physical Properties

Property Value Unit Source
ω 0.4160 KDB
AP 341.150 K KDB
Δf 22.46 kJ/mol Joback Calculated Property
Δc,grossH 6124.33 kJ/mol KDB
Δc,netH 5684.216 kJ/mol KDB
Δfgas -234.37 kJ/mol Joback Calculated Property
Δfus 15.54 kJ/mol Joback Calculated Property
Δvap 44.10 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 2330.00 kPa KDB
Inp [856.00; 873.30]   Show Hide
Inp 858.00 NIST
Inp 856.00 NIST
Inp 866.00 NIST
Inp 857.40 NIST
Inp 858.50 NIST
Inp 861.80 NIST
Inp 861.90 NIST
Inp 857.00 NIST
Inp 858.20 NIST
Inp 859.00 NIST
Inp 859.60 NIST
Inp 857.60 NIST
Inp 861.00 NIST
Inp 856.00 NIST
Inp 856.00 NIST
Inp 857.00 NIST
Inp 857.00 NIST
Inp 858.00 NIST
Inp 857.50 NIST
Inp 858.00 NIST
Inp 861.00 NIST
Inp 857.00 NIST
Inp 858.00 NIST
Inp 858.00 NIST
Inp 863.00 NIST
Inp 858.00 NIST
Inp 858.00 NIST
Inp Outlier 873.30 NIST
Inp 858.51 NIST
Inp 860.00 NIST
Inp 858.00 NIST
Inp 862.00 NIST
Inp 863.00 NIST
Inp 863.00 NIST
Inp 866.00 NIST
Inp 858.00 NIST
Inp 858.00 NIST
Inp 858.00 NIST
Inp Outlier 873.30 NIST
Inp 858.00 NIST
Inp 861.80 NIST
Inp 859.60 NIST
Inp 857.00 NIST
Inp 861.00 NIST
Inp 863.00 NIST
Inp 862.00 NIST
Inp 858.51 NIST
Tboil [411.65; 414.55] K Show Hide
Tboil 414.40 K KDB
Tboil 414.35 ± 0.70 K NIST
Tboil 414.55 ± 1.00 K NIST
Tboil 411.65 ± 2.00 K NIST
Tc 585.00 K KDB
Tfus 160.00 K KDB
Vc 0.533 m3/kmol KDB
Zc 0.2555630 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
ΔvapH 36.65 kJ/mol 414.40 KDB
n0 1.40730 298.15 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.65] kPa [303.26; 441.97] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.44017e+01
Coefficient B-3.54239e+03
Coefficient C-5.22760e+01
Temperature range, min.303.26
Temperature range, max.441.97
Pvap 1.33 kPa 303.26 Calculated Property
Pvap 3.02 kPa 318.67 Calculated Property
Pvap 6.24 kPa 334.08 Calculated Property
Pvap 11.98 kPa 349.50 Calculated Property
Pvap 21.56 kPa 364.91 Calculated Property
Pvap 36.72 kPa 380.32 Calculated Property
Pvap 59.61 kPa 395.73 Calculated Property
Pvap 92.82 kPa 411.15 Calculated Property
Pvap 139.38 kPa 426.56 Calculated Property
Pvap 202.65 kPa 441.97 Calculated Property
Pvap [1.33; 2348.03] kPa [303.15; 584.95] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.94742e+01
Coefficient B-8.56034e+03
Coefficient C-1.25523e+01
Coefficient D8.47146e-06
Temperature range, min.303.15
Temperature range, max.584.95
Pvap 1.33 kPa 303.15 Calculated Property
Pvap 6.47 kPa 334.46 Calculated Property
Pvap 22.66 kPa 365.77 Calculated Property
Pvap 62.63 kPa 397.08 Calculated Property
Pvap 145.35 kPa 428.39 Calculated Property
Pvap 295.97 kPa 459.71 Calculated Property
Pvap 546.09 kPa 491.02 Calculated Property
Pvap 935.15 kPa 522.33 Calculated Property
Pvap 1513.57 kPa 553.64 Calculated Property
Pvap 2348.03 kPa 584.95 Calculated Property

Similar Compounds

Heptane, 4-propyl-. Heptane, 3-ethyl-. Hexane, 3-ethyl-. Octane, 4-ethyl-. Nonane, 5-ethyl. Hexadecane, 8-ethyl. Hexadecane, 3-octyl. Pentadecane, 8-ethyl. 5-ethylnonacosane. 11,17-Diethyl-heptacosane. 3-ethyltetradecane. Pentadecane, 7-ethyl. 3-Ethylpentadecane. Tridecane, 7-ethyl. Tridecane, 6-ethyl.

Find more compounds similar to Heptane, 4-ethyl-.

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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