Chemical Properties of Cycloheptane (CAS 291-64-5)

Cycloheptane

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InChI
InChI=1S/C7H14/c1-2-4-6-7-5-3-1/h1-7H2
InChI Key
DMEGYFMYUHOHGS-UHFFFAOYSA-N
Formula
C7H14
SMILES
C1CCCCCC1
Molecular Weight1
98.19
CAS
291-64-5
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Physical Properties

Property Value Unit Source
ω 0.2370 KDB
Δcliquid [-4598.90; -4586.50] kJ/mol Show Hide
Δcliquid -4597.00 ± 0.80 kJ/mol NIST
Δcliquid -4597.60 ± 0.60 kJ/mol NIST
Δcliquid -4598.90 ± 1.70 kJ/mol NIST
Δcliquid -4586.50 kJ/mol NIST
Δf 63.05 kJ/mol KDB
Δc,grossH 4597.80 kJ/mol KDB
Δc,netH 4289.856 kJ/mol KDB
Δfgas -119.40 kJ/mol KDB
Δfliquid -156.40 ± 1.70 kJ/mol NIST
Δfus 2.55 kJ/mol Joback Calculated Property
Δvap [37.00; 39.40] kJ/mol Show Hide
Δvap 38.50 kJ/mol NIST
Δvap 38.50 ± 2.10 kJ/mol NIST
Δvap 38.50 ± 0.20 kJ/mol NIST
Δvap 39.40 kJ/mol NIST
Δvap 37.00 kJ/mol NIST
IE [9.82; 9.97] eV Show Hide
IE 9.90 ± 0.10 eV NIST
IE 9.82 ± 0.05 eV NIST
IE 9.96 eV NIST
IE 9.97 eV NIST
IE 9.88 ± 0.05 eV NIST
log10WS [-3.52; -3.51]   Show Hide
log10WS -3.52 Aq. Sol...
log10WS -3.51 Estimat...
logPoct/wat 2.731 Crippen Calculated Property
McVol 98.630 ml/mol McGowan Calculated Property
Pc [3813.00; 3826.00] kPa Show Hide
Pc 3820.00 kPa KDB
Pc 3820.00 ± 40.00 kPa NIST
Pc 3813.00 ± 50.00 kPa NIST
Pc 3826.00 ± 40.53 kPa NIST
ρc 277.87 ± 3.93 kg/m3 NIST
Inp [784.00; 846.00]   Show Hide
Inp Outlier 837.50 NIST
Inp Outlier 836.00 NIST
Inp Outlier 837.00 NIST
Inp 794.20 NIST
Inp 800.00 NIST
Inp 806.90 NIST
Inp 819.00 NIST
Inp 800.00 NIST
Inp 789.00 NIST
Inp 788.00 NIST
Inp 789.00 NIST
Inp 815.00 NIST
Inp 811.60 NIST
Inp 791.00 NIST
Inp 804.00 NIST
Inp 811.00 NIST
Inp 829.00 NIST
Inp 807.00 NIST
Inp 803.00 NIST
Inp 784.00 NIST
Inp 812.00 NIST
Inp 786.00 NIST
Inp 795.00 NIST
Inp 800.00 NIST
Inp 806.00 NIST
Inp 816.00 NIST
Inp 804.00 NIST
Inp 824.00 NIST
Inp 819.00 NIST
Inp 787.00 NIST
Inp 794.00 NIST
Inp 786.00 NIST
Inp 796.00 NIST
Inp 796.00 NIST
Inp 796.00 NIST
Inp 790.00 NIST
Inp 800.00 NIST
Inp Outlier 846.00 NIST
Inp 803.00 NIST
Inp 797.00 NIST
Inp 807.00 NIST
Inp 800.00 NIST
Inp 800.00 NIST
Inp 787.00 NIST
Inp Outlier 837.50 NIST
Inp 806.90 NIST
Inp 789.00 NIST
Inp 811.00 NIST
Inp 812.00 NIST
Inp 816.00 NIST
Inp 800.00 NIST
Inp 819.00 NIST
Inp 796.00 NIST
Inp 786.00 NIST
I [878.00; 899.00]   Show Hide
I 899.00 NIST
I 878.00 NIST
I 892.00 NIST
I 883.00 NIST
I 883.00 NIST
I 899.00 NIST
gas 342.30 ± 1.30 J/mol×K NIST
liquid 242.55 J/mol×K NIST
Tboil [391.25; 393.00] K Show Hide
Tboil 391.63 K KDB
Tboil 391.70 K NIST
Tboil Outlier 393.00 ± 2.00 K NIST
Tboil 391.99 ± 0.20 K NIST
Tboil 391.99 ± 0.30 K NIST
Tboil 391.99 ± 0.30 K NIST
Tboil 391.63 ± 0.30 K NIST
Tboil 391.25 ± 0.60 K NIST
Tboil 392.15 ± 2.00 K NIST
Tc [604.20; 604.20] K Show Hide
Tc 604.20 K KDB
Tc 604.20 ± 0.50 K NIST
Tc 604.20 ± 0.50 K NIST
Tfus 265.12 K KDB
Ttriple [265.00; 265.12] K Show Hide
Ttriple 265.00 ± 0.07 K NIST
Ttriple 265.12 ± 0.05 K NIST
Ttriple 265.10 ± 3.00 K NIST
Vc [0.353; 0.354] m3/kmol Show Hide
Vc 0.353 m3/kmol KDB
Vc 0.353 m3/kmol NIST
Vc 0.354 ± 0.007 m3/kmol NIST
Zc 0.2684240 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [170.69; 260.93] J/mol×K [388.05; 600.09] Show Hide
Cp,gas 170.69 J/mol×K 388.05 Joback Calculated Property
Cp,gas 187.82 J/mol×K 423.39 Joback Calculated Property
Cp,gas 204.08 J/mol×K 458.73 Joback Calculated Property
Cp,gas 219.50 J/mol×K 494.07 Joback Calculated Property
Cp,gas 234.11 J/mol×K 529.41 Joback Calculated Property
Cp,gas 247.91 J/mol×K 564.75 Joback Calculated Property
Cp,gas 260.93 J/mol×K 600.09 Joback Calculated Property
Cp,liquid [180.47; 180.75] J/mol×K [298.15; 298.15] Show Hide
Cp,liquid 180.61 J/mol×K 298.15 NIST
Cp,liquid 180.47 J/mol×K 298.15 NIST
Cp,liquid 180.75 J/mol×K 298.15 NIST
η [0.0002763; 0.0332403] Pa×s [176.75; 388.05] Show Hide
η 0.0332403 Pa×s 176.75 Joback Calculated Property
η 0.0077075 Pa×s 211.97 Joback Calculated Property
η 0.0027104 Pa×s 247.18 Joback Calculated Property
η 0.0012369 Pa×s 282.40 Joback Calculated Property
η 0.0006718 Pa×s 317.62 Joback Calculated Property
η 0.0004121 Pa×s 352.83 Joback Calculated Property
η 0.0002763 Pa×s 388.05 Joback Calculated Property
ΔfusH [0.29; 4.98] kJ/mol [134.80; 265.10] Show Hide
ΔfusH 4.98 kJ/mol 134.80 NIST
ΔfusH 0.29 kJ/mol 198.20 NIST
ΔfusH 0.45 kJ/mol 212.40 NIST
ΔfusH 1.88 kJ/mol 265.10 NIST
ΔfusH 1.88 kJ/mol 265.10 NIST
ΔsubH 53.50 kJ/mol 134.00 NIST
ΔvapH [31.70; 38.60] kJ/mol [307.50; 540.00] Show Hide
ΔvapH 38.60 kJ/mol 307.50 NIST
ΔvapH 36.40 kJ/mol 365.50 NIST
ΔvapH 36.10 kJ/mol 387.00 NIST
ΔvapH 31.70 kJ/mol 540.00 NIST
n0 1.44240 298.15 KDB
ρl 810.00 kg/m3 293.00 KDB
ΔfusS [1.46; 36.94] J/mol×K [134.80; 265.10] Show Hide
ΔfusS 36.94 J/mol×K 134.80 NIST
ΔfusS 1.46 J/mol×K 198.20 NIST
ΔfusS 2.11 J/mol×K 212.40 NIST
ΔfusS 7.10 J/mol×K 265.10 NIST
γ 0.03 N/m 298.20 KDB
λ [0.11; 0.13] W/m×K [262.18; 320.36] Show Hide
λ 0.13 W/m×K 262.18 Thermal...
λ 0.13 W/m×K 262.37 Thermal...
λ 0.13 W/m×K 262.50 Thermal...
λ 0.12 W/m×K 280.17 Thermal...
λ 0.12 W/m×K 280.35 Thermal...
λ 0.12 W/m×K 280.48 Thermal...
λ 0.12 W/m×K 297.01 Thermal...
λ 0.12 W/m×K 297.20 Thermal...
λ 0.12 W/m×K 297.33 Thermal...
λ 0.11 W/m×K 320.05 Thermal...
λ 0.11 W/m×K 320.23 Thermal...
λ 0.11 W/m×K 320.36 Thermal...

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.39; 202.67] kPa [265.12; 418.93] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41291e+01
Coefficient B-3.26491e+03
Coefficient C-4.86550e+01
Temperature range, min.265.12
Temperature range, max.418.93
Pvap 0.39 kPa 265.12 Calculated Property
Pvap 1.16 kPa 282.21 Calculated Property
Pvap 3.01 kPa 299.30 Calculated Property
Pvap 6.92 kPa 316.39 Calculated Property
Pvap 14.39 kPa 333.48 Calculated Property
Pvap 27.53 kPa 350.57 Calculated Property
Pvap 49.13 kPa 367.66 Calculated Property
Pvap 82.67 kPa 384.75 Calculated Property
Pvap 132.28 kPa 401.84 Calculated Property
Pvap 202.67 kPa 418.93 Calculated Property
Pvap [0.39; 3831.50] kPa [265.12; 604.30] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A8.37466e+01
Coefficient B-7.38221e+03
Coefficient C-1.02752e+01
Coefficient D6.91167e-06
Temperature range, min.265.12
Temperature range, max.604.30
Pvap 0.39 kPa 265.12 Calculated Property
Pvap 3.66 kPa 302.81 Calculated Property
Pvap 19.26 kPa 340.49 Calculated Property
Pvap 68.53 kPa 378.18 Calculated Property
Pvap 186.24 kPa 415.87 Calculated Property
Pvap 418.69 kPa 453.55 Calculated Property
Pvap 822.00 kPa 491.24 Calculated Property
Pvap 1463.67 kPa 528.93 Calculated Property
Pvap 2428.81 kPa 566.61 Calculated Property
Pvap 3831.50 kPa 604.30 Calculated Property

Similar Compounds

Cyclopentadecane. Cyclotridecane. Cyclotetracosane. Cyclodecane. Cyclononane. Cyclohexadecane. Cyclotetradecane. Cycloeicosane. Cyclotriacontane. Cyclooctane. Cyclododecane. Cyclooctadecane. Cyclooctacosane. Cycloundecane. Cyclohexane-d12.

Find more compounds similar to Cycloheptane.

Mixtures

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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