Chemical Properties of Cyclooctanone (CAS 502-49-8)

Cyclooctanone

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InChI
InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
InChI Key
IIRFCWANHMSDCG-UHFFFAOYSA-N
Formula
C8H14O
SMILES
O=C1CCCCCCC1
Molecular Weight1
126.20
CAS
502-49-8
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Physical Properties

Property Value Unit Source
PAff 849.40 kJ/mol NIST
BasG 819.60 kJ/mol NIST
Δcsolid [-4825.60; -4822.90] kJ/mol Show Hide
Δcsolid -4825.60 ± 1.60 kJ/mol NIST
Δcsolid -4822.90 ± 5.00 kJ/mol NIST
Δf -98.15 kJ/mol Joback Calculated Property
Δfgas [-272.20; -272.00] kJ/mol Show Hide
Δfgas -272.20 ± 1.80 kJ/mol NIST
Δfgas -272.00 ± 5.40 kJ/mol NIST
Δfliquid -326.00 ± 5.00 kJ/mol NIST
Δfsolid -322.30 ± 1.60 kJ/mol NIST
Δfus 2.55 kJ/mol Joback Calculated Property
Δvap [48.50; 54.40] kJ/mol Show Hide
Δvap 54.40 kJ/mol NIST
Δvap 53.60 kJ/mol NIST
Δvap 54.20 kJ/mol NIST
Δvap 48.50 ± 0.60 kJ/mol NIST
Δvap 54.00 ± 2.00 kJ/mol NIST
IE [9.00; 9.28] eV Show Hide
IE 9.28 eV NIST
IE 9.28 eV NIST
IE 9.08 eV NIST
IE 9.00 eV NIST
IE 9.09 ± 0.02 eV NIST
log10WS -2.35 Crippen Calculated Property
logPoct/wat 2.300 Crippen Calculated Property
McVol 114.290 ml/mol McGowan Calculated Property
Pc 3615.89 kPa Joback Calculated Property
Inp [1081.00; 1115.00]   Show Hide
Inp 1115.00 NIST
Inp 1096.00 NIST
Inp 1081.00 NIST
Inp 1088.00 NIST
Inp 1093.00 NIST
Inp 1104.00 NIST
Inp 1115.00 NIST
Inp 1083.00 NIST
Tboil [469.15; 478.70] K Show Hide
Tboil 469.20 K NIST
Tboil 478.70 ± 0.50 K NIST
Tboil 469.15 ± 3.00 K NIST
Tc 721.71 K Joback Calculated Property
Tfus [298.65; 317.40] K Show Hide
Tfus 317.40 ± 0.10 K NIST
Tfus 298.65 ± 2.00 K NIST
Vc 0.408 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [245.43; 344.35] J/mol×K [483.02; 721.71] Show Hide
Cp,gas 245.43 J/mol×K 483.02 Joback Calculated Property
Cp,gas 264.28 J/mol×K 522.80 Joback Calculated Property
Cp,gas 282.21 J/mol×K 562.58 Joback Calculated Property
Cp,gas 299.21 J/mol×K 602.36 Joback Calculated Property
Cp,gas 315.24 J/mol×K 642.15 Joback Calculated Property
Cp,gas 330.30 J/mol×K 681.93 Joback Calculated Property
Cp,gas 344.35 J/mol×K 721.71 Joback Calculated Property
ΔfusH [2.51; 13.80] kJ/mol [174.00; 318.70] Show Hide
ΔfusH 2.51 kJ/mol 174.00 NIST
ΔfusH 13.80 kJ/mol 226.80 NIST
ΔfusH 2.87 kJ/mol 318.70 NIST
ΔvapH [46.80; 47.30] kJ/mol [363.00; 439.00] Show Hide
ΔvapH 47.30 kJ/mol 363.00 NIST
ΔvapH 46.80 kJ/mol 439.00 NIST
ΔfusS [9.00; 60.80] J/mol×K [174.00; 318.70] Show Hide
ΔfusS 14.40 J/mol×K 174.00 NIST
ΔfusS 60.80 J/mol×K 226.80 NIST
ΔfusS 9.00 J/mol×K 318.70 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [9.47; 123.33] kPa [394.15; 483.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.89566e+01
Coefficient B-9.79197e+03
Coefficient C-1.21808e+01
Coefficient D6.02535e-06
Temperature range, min.394.15
Temperature range, max.483.15
Pvap 9.47 kPa 394.15 Calculated Property
Pvap 13.49 kPa 404.04 Calculated Property
Pvap 18.82 kPa 413.93 Calculated Property
Pvap 25.77 kPa 423.82 Calculated Property
Pvap 34.68 kPa 433.71 Calculated Property
Pvap 45.93 kPa 443.59 Calculated Property
Pvap 59.95 kPa 453.48 Calculated Property
Pvap 77.18 kPa 463.37 Calculated Property
Pvap 98.13 kPa 473.26 Calculated Property
Pvap 123.33 kPa 483.15 Calculated Property

Similar Compounds

Cyclononanone. Cyclotridecanone. Cyclododecanone. Cyclopentadecanone. 1,10-Cycloeicosanedione. Cyclohexadecanone. Cycloundecanone. Cyclotetradecanone-. Cyclodecanone. Cyclooctadecanone. Cycloheptadecanone. Cycloheptanone. 1,4-Cyclooctanedione. Cyclohexanone. 18-Pentatriacontanone.

Find more compounds similar to Cyclooctanone.

Sources

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