Chemical Properties of Cyclohexane, ethyl- (CAS 1678-91-7)

Cyclohexane, ethyl-

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InChI
InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3
InChI Key
IIEWJVIFRVWJOD-UHFFFAOYSA-N
Formula
C8H16
SMILES
CCC1CCCCC1
Molecular Weight1
112.21
CAS
1678-91-7
Other Names
  • Ethylcyclohexane
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Physical Properties

Property Value Unit Source
ω 0.2430 KDB
AP 316.950 K KDB
Δcliquid -5222.60 ± 1.50 kJ/mol NIST
μ 0.00 debye KDB
Δf 39.27 kJ/mol KDB
Δc,grossH 5222.59 kJ/mol KDB
Δc,netH 4870.511 kJ/mol KDB
Δfgas [-172.60; -171.80] kJ/mol Show
Δfgas -171.90 kJ/mol KDB
Δfgas -172.60 kJ/mol NIST
Δfgas -171.80 ± 1.50 kJ/mol NIST
Δfliquid [-213.00; -212.20] kJ/mol Show
Δfliquid -213.00 kJ/mol NIST
Δfliquid -212.20 ± 1.50 kJ/mol NIST
Δfus 8.31 kJ/mol Joback Calculated Property
Δvap 33.83 kJ/mol Joback Calculated Property
IE [9.54; 9.67] eV Show
IE 9.54 eV NIST
IE 9.67 ± 0.02 eV NIST
log10WS [-4.25; -4.25]   Show
log10WS -4.25 Aq. Sol...
log10WS -4.25 Estimat...
logPoct/wat 2.977 Crippen Calculated Property
McVol 112.720 ml/mol McGowan Calculated Property
NFPA Fire 3 KDB
NFPA Health 1 KDB
Pc [3000.00; 3250.00] kPa Show
Pc 3000.00 kPa KDB
Pc 3250.00 kPa Critica...
Inp [818.00; 867.90]   Show
Inp 846.00 NIST
Inp 851.00 NIST
Inp 829.00 NIST
Inp 842.20 NIST
Inp Outlier 859.70 NIST
Inp Outlier 867.90 NIST
Inp 828.00 NIST
Inp 833.60 NIST
Inp 839.00 NIST
Inp 843.00 NIST
Inp 834.30 NIST
Inp 842.80 NIST
Inp 831.30 NIST
Inp 831.70 NIST
Inp 853.00 NIST
Inp 837.00 NIST
Inp 838.00 NIST
Inp 848.00 NIST
Inp 842.00 NIST
Inp 842.00 NIST
Inp 834.00 NIST
Inp 840.00 NIST
Inp 850.00 NIST
Inp 840.00 NIST
Inp 832.00 NIST
Inp 836.00 NIST
Inp 838.00 NIST
Inp 841.00 NIST
Inp 844.00 NIST
Inp 834.30 NIST
Inp 832.00 NIST
Inp Outlier 856.00 NIST
Inp 842.00 NIST
Inp 825.00 NIST
Inp 828.00 NIST
Inp 834.00 NIST
Inp 839.00 NIST
Inp 845.00 NIST
Inp 839.00 NIST
Inp 839.00 NIST
Inp 839.00 NIST
Inp 839.00 NIST
Inp 842.00 NIST
Inp 835.92 NIST
Inp 824.00 NIST
Inp 843.00 NIST
Inp 845.00 NIST
Inp Outlier 854.00 NIST
Inp 840.00 NIST
Inp 832.00 NIST
Inp 841.00 NIST
Inp 832.20 NIST
Inp 829.10 NIST
Inp 828.40 NIST
Inp 826.90 NIST
Inp 829.10 NIST
Inp 830.90 NIST
Inp 838.10 NIST
Inp 830.10 NIST
Inp Outlier 818.00 NIST
Inp 826.90 NIST
Inp 829.10 NIST
Inp 830.90 NIST
Inp 829.10 NIST
Inp 828.40 NIST
Inp 827.00 NIST
Inp 821.60 NIST
Inp 824.96 NIST
Inp 827.15 NIST
Inp 827.11 NIST
Inp 830.63 NIST
Inp 832.99 NIST
Inp 841.00 NIST
Inp 834.00 NIST
Inp 828.00 NIST
Inp 833.00 NIST
Inp 843.00 NIST
Inp 833.00 NIST
Inp 836.00 NIST
Inp 834.00 NIST
Inp 827.00 NIST
Inp 831.70 NIST
Inp 834.00 NIST
Inp 825.00 NIST
Inp 835.00 NIST
Inp 837.90 NIST
Inp 841.40 NIST
Inp 844.00 NIST
Inp 846.20 NIST
Inp 825.00 NIST
Inp 824.00 NIST
Inp 837.00 NIST
Inp 839.00 NIST
Inp 834.00 NIST
Inp 831.00 NIST
Inp 827.00 NIST
Inp 827.00 NIST
Inp 840.00 NIST
Inp 837.00 NIST
Inp 827.00 NIST
Inp 850.00 NIST
Inp 840.00 NIST
Inp 834.00 NIST
I [885.00; 925.20]   Show
I 920.00 NIST
I 915.00 NIST
I 920.00 NIST
I 925.20 NIST
I 905.50 NIST
I 910.10 NIST
I 920.00 NIST
I Outlier 885.00 NIST
I 920.00 NIST
I 910.10 NIST
gas 382.67 J/mol×K NIST
liquid [280.91; 281.60] J/mol×K Show
liquid 280.91 J/mol×K NIST
liquid 281.60 J/mol×K NIST
Tboil 404.90 K KDB
Tc [606.90; 609.00] K Show
Tc 609.00 K KDB
Tc 606.90 K Gas-Liq...
Tc 609.00 K NIST
Tfus [161.80; 162.00] K Show
Tfus 161.80 K KDB
Tfus 162.00 K Aq. Sol...
Ttriple [161.40; 161.84] K Show
Ttriple 161.84 ± 0.05 K NIST
Ttriple 161.40 ± 0.20 K NIST
Vc 0.450 m3/kmol KDB
Zc 0.2666120 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [152.23; 239.88] J/mol×K [298.15; 448.15] Show
T(K)
Ideal gas heat capacity (J/mol×K)
160
180
200
220
240
300
350
400
450
Cp,gas 152.23 J/mol×K 298.15 NIST
Cp,gas 170.36 J/mol×K 323.15 NIST
Cp,gas 197.90 J/mol×K 373.15 NIST
Cp,gas 217.63 J/mol×K 408.15 NIST
Cp,gas 239.88 J/mol×K 448.15 NIST
Cp,liquid [211.79; 214.20] J/mol×K [298.15; 298.15] Show
Cp,liquid 211.79 J/mol×K 298.15 NIST
Cp,liquid 214.20 J/mol×K 298.15 NIST
η [0.0002793; 0.0082639] Pa×s [187.30; 401.99] Show
T(K)
Dynamic viscosity (Pa×s)
0
2.00e-3
4.00e-3
6.00e-3
8.00e-3
200
300
400
η 0.0082639 Pa×s 187.30 Joback Calculated Property
η 0.0029878 Pa×s 223.08 Joback Calculated Property
η 0.0014311 Pa×s 258.86 Joback Calculated Property
η 0.0008196 Pa×s 294.64 Joback Calculated Property
η 0.0005297 Pa×s 330.43 Joback Calculated Property
η 0.0003728 Pa×s 366.21 Joback Calculated Property
η 0.0002793 Pa×s 401.99 Joback Calculated Property
ΔfusH [8.28; 8.50] kJ/mol [161.40; 161.84] Show
T(K)
Enthalpy of fusion at a given temperature (kJ/mol)
8.3
8.35
8.4
8.45
8.5
161.4
161.60000000000002
161.8
ΔfusH 8.33 kJ/mol 161.40 NIST
ΔfusH 8.28 kJ/mol 161.40 NIST
ΔfusH 8.28 kJ/mol 161.40 NIST
ΔfusH 8.50 kJ/mol 161.50 NIST
ΔfusH 8.33 kJ/mol 161.84 NIST
ΔvapH [34.04; 39.80] kJ/mol [313.00; 405.00] Show
T(K)
Enthalpy of vaporization at a given temperature (kJ/mol)
34
35
36
37
38
39
40
350
400
ΔvapH 39.80 ± 0.10 kJ/mol 313.00 NIST
ΔvapH 38.90 ± 0.10 kJ/mol 328.00 NIST
ΔvapH 37.90 ± 0.10 kJ/mol 343.00 NIST
ΔvapH 37.00 ± 0.10 kJ/mol 358.00 NIST
ΔvapH 38.60 kJ/mol 365.00 NIST
ΔvapH 36.30 ± 0.10 kJ/mol 368.00 NIST
ΔvapH 34.31 kJ/mol 404.90 KDB
ΔvapH 34.04 kJ/mol 405.00 NIST
Pvap [2.10; 73.20] kPa [303.15; 393.15] Show
T(K)
Vapor pressure (kPa)
0
10
20
30
40
50
60
70
80
320
340
360
380
Pvap 2.10 kPa 303.15 Bubble ...
Pvap 3.70 kPa 313.15 Bubble ...
Pvap 6.00 kPa 323.15 Bubble ...
Pvap 9.30 kPa 333.15 Bubble ...
Pvap 13.90 kPa 343.15 Bubble ...
Pvap 20.40 kPa 353.15 Bubble ...
Pvap 28.90 kPa 363.15 Bubble ...
Pvap 40.30 kPa 373.15 Bubble ...
Pvap 54.80 kPa 383.15 Bubble ...
Pvap 73.20 kPa 393.15 Bubble ...
n0 [1.42750; 1.43073]   [293.15; 298.15] Show
n0 1.42750 293.15 Density...
n0 1.43073 298.15 KDB
ρl [747.03; 788.02] kg/m3 [293.00; 343.15] Show
T(K)
Liquid Density (kg/m3)
750
760
770
780
790
300
320
340
ρl 788.00 kg/m3 293.00 KDB
ρl 787.98 kg/m3 293.15 Densiti...
ρl 787.98 kg/m3 293.15 Densiti...
ρl 787.98 kg/m3 293.15 Density...
ρl 788.02 kg/m3 293.15 Excess ...
ρl 783.97 kg/m3 298.15 Densiti...
ρl 783.95 kg/m3 298.15 Density...
ρl 784.01 kg/m3 298.15 Excess ...
ρl 779.93 kg/m3 303.15 Densiti...
ρl 779.98 kg/m3 303.15 Excess ...
ρl 779.91 kg/m3 303.15 Densiti...
ρl 779.92 kg/m3 303.15 Density...
ρl 775.88 kg/m3 308.15 Densiti...
ρl 775.87 kg/m3 308.15 Density...
ρl 775.93 kg/m3 308.15 Excess ...
ρl 771.82 kg/m3 313.15 Densiti...
ρl 771.79 kg/m3 313.15 Densiti...
ρl 771.86 kg/m3 313.15 Excess ...
ρl 771.80 kg/m3 313.15 Density...
ρl 767.69 kg/m3 318.15 Densiti...
ρl 767.72 kg/m3 318.15 Density...
ρl 767.78 kg/m3 318.15 Excess ...
ρl 763.62 kg/m3 323.15 Density...
ρl 763.60 kg/m3 323.15 Densiti...
ρl 763.59 kg/m3 323.15 Densiti...
ρl 755.35 kg/m3 333.15 Densiti...
ρl 755.36 kg/m3 333.15 Densiti...
ρl 747.03 kg/m3 343.15 Densiti...
ΔfusS [51.30; 51.49] J/mol×K [161.40; 161.84] Show
ΔfusS 51.30 J/mol×K 161.40 NIST
ΔfusS 51.49 J/mol×K 161.84 NIST
γ 0.03 N/m 293.20 KDB

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [291.27; 433.70] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.40223e+01
Coefficient B-3.39182e+03
Coefficient C-4.43220e+01
Temperature range, min.291.27
Temperature range, max.433.70
T(K)
Vapor pressure (kPa)
0
50
100
150
200
300
350
400
Pvap 1.33 kPa 291.27 Calculated Property
Pvap 3.05 kPa 307.10 Calculated Property
Pvap 6.35 kPa 322.92 Calculated Property
Pvap 12.21 kPa 338.75 Calculated Property
Pvap 21.97 kPa 354.57 Calculated Property
Pvap 37.35 kPa 370.40 Calculated Property
Pvap 60.45 kPa 386.22 Calculated Property
Pvap 93.76 kPa 402.05 Calculated Property
Pvap 140.11 kPa 417.87 Calculated Property
Pvap 202.64 kPa 433.70 Calculated Property
Pvap [3.59e-07; 3033.23] kPa [161.84; 609.15] KDB Vap... Show
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A7.23704e+01
Coefficient B-7.17302e+03
Coefficient C-8.45462e+00
Coefficient D4.40351e-06
Temperature range, min.161.84
Temperature range, max.609.15
T(K)
Vapor pressure (kPa)
0
500
1000
1500
2000
2500
3000
200
400
600
Pvap 3.59e-07 kPa 161.84 Calculated Property
Pvap 1.35e-03 kPa 211.54 Calculated Property
Pvap 0.16 kPa 261.24 Calculated Property
Pvap 3.32 kPa 310.94 Calculated Property
Pvap 26.41 kPa 360.64 Calculated Property
Pvap 116.75 kPa 410.35 Calculated Property
Pvap 355.10 kPa 460.05 Calculated Property
Pvap 843.49 kPa 509.75 Calculated Property
Pvap 1694.41 kPa 559.45 Calculated Property
Pvap 3033.23 kPa 609.15 Calculated Property

Similar Compounds

Cyclohexane, 1,4-diethyl. 1,4-Diethylcyclohexane. Cyclohexane, propyl-. Cyclohexane, butyl-. Octane, 4-ethyl-. Nonane, 5-ethyl. Cyclohexane, octadecyl-. n-Tridecylcyclohexane. Heptylcyclohexane. Cyclohexane, hexyl-. Cyclohexane, eicosyl-. Dodecylcyclohexane. n-Pentadecylcyclohexane. Cyclohexane, decyl-. Cyclohexane, nonadecyl-.

Find more compounds similar to Cyclohexane, ethyl-.

Mixtures

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.