Chemical Properties of Cycloheptanone (CAS 502-42-1)

Cycloheptanone

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InChI
InChI=1S/C7H12O/c8-7-5-3-1-2-4-6-7/h1-6H2
InChI Key
CGZZMOTZOONQIA-UHFFFAOYSA-N
Formula
C7H12O
SMILES
O=C1CCCCCC1
Molecular Weight1
112.17
CAS
502-42-1
Other Names
  • KETOCYCLOHEPTANE
  • Ketoheptamethylene
  • SUBERONE
  • Suberon

Physical Properties

Property Value Unit Source
PAff [845.60; 846.30] kJ/mol Show Hide
PAff 845.60 kJ/mol NIST
PAff 846.30 ± 0.20 kJ/mol NIST
BasG 815.90 kJ/mol NIST
Δcliquid [-4203.20; -4170.20] kJ/mol Show Hide
Δcliquid -4172.00 ± 1.00 kJ/mol NIST
Δcliquid -4172.00 kJ/mol NIST
Δcliquid -4170.20 ± 1.30 kJ/mol NIST
Δcliquid -4203.20 kJ/mol NIST
Δf -94.47 kJ/mol Joback Calculated Property
Δfgas [-248.00; -247.00] kJ/mol Show Hide
Δfgas -248.00 ± 1.30 kJ/mol NIST
Δfgas -247.00 ± 2.00 kJ/mol NIST
Δfliquid [-299.00; -297.60] kJ/mol Show Hide
Δfliquid -297.60 ± 1.10 kJ/mol NIST
Δfliquid -299.00 ± 1.00 kJ/mol NIST
Δfus 2.06 kJ/mol Joback Calculated Property
Δvap [49.50; 52.00] kJ/mol Show Hide
Δvap 50.60 kJ/mol NIST
Δvap 51.90 kJ/mol NIST
Δvap 50.70 kJ/mol NIST
Δvap 49.54 ± 0.63 kJ/mol NIST
Δvap 49.50 ± 0.60 kJ/mol NIST
Δvap 52.00 ± 1.00 kJ/mol NIST
IE [9.14; 9.49] eV Show Hide
IE 9.49 ± 0.01 eV NIST
IE 9.14 eV NIST
IE 9.17 ± 0.02 eV NIST
log10WS -1.93 Crippen Calculated Property
logPoct/wat 1.910 Crippen Calculated Property
McVol 100.200 ml/mol McGowan Calculated Property
Pc 3945.61 kPa Joback Calculated Property
Inp [979.00; 1015.50]   Show Hide
Inp 1009.00 NIST
Inp 1005.10 NIST
Inp 1015.50 NIST
Inp 992.00 NIST
Inp 979.00 NIST
Inp 985.00 NIST
Inp 989.00 NIST
Inp 999.00 NIST
Inp 1008.00 NIST
Inp 981.00 NIST
Inp 1015.00 NIST
Inp 1015.00 NIST
Inp 987.00 NIST
Inp 1010.00 NIST
Inp 992.00 NIST
Inp 1008.00 NIST
Inp 1015.00 NIST
I [1495.00; 1495.00]   Show Hide
I 1495.00 NIST
I 1495.00 NIST
Tboil [451.70; 453.15] K Show Hide
Tboil 451.70 K NIST
Tboil 452.95 ± 0.60 K NIST
Tboil 453.15 ± 3.00 K NIST
Tc 689.15 K Joback Calculated Property
Tfus 244.97 K Joback Calculated Property
Vc 0.360 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [202.51; 289.79] J/mol×K [455.87; 689.15] Show Hide
Cp,gas 202.51 J/mol×K 455.87 Joback Calculated Property
Cp,gas 219.00 J/mol×K 494.75 Joback Calculated Property
Cp,gas 234.73 J/mol×K 533.63 Joback Calculated Property
Cp,gas 249.68 J/mol×K 572.51 Joback Calculated Property
Cp,gas 263.85 J/mol×K 611.39 Joback Calculated Property
Cp,gas 277.23 J/mol×K 650.27 Joback Calculated Property
Cp,gas 289.79 J/mol×K 689.15 Joback Calculated Property
Cp,liquid [201.11; 204.51] J/mol×K [293.15; 308.15] Show Hide
Cp,liquid 201.11 J/mol×K 293.15 Thermod...
Cp,liquid 202.01 J/mol×K 298.15 Thermod...
Cp,liquid 203.21 J/mol×K 303.15 Thermod...
Cp,liquid 204.51 J/mol×K 308.15 Thermod...
ΔfusH [0.43; 12.40] kJ/mol [227.00; 259.30] Show Hide
ΔfusH 12.40 kJ/mol 227.00 NIST
ΔfusH 0.43 kJ/mol 232.60 NIST
ΔfusH 1.39 kJ/mol 259.30 NIST
ΔfusH 1.39 kJ/mol 259.30 NIST
ΔvapH [44.80; 48.50] kJ/mol [383.00; 419.00] Show Hide
ΔvapH 48.50 kJ/mol 383.00 NIST
ΔvapH 44.80 kJ/mol 419.00 NIST
n0 1.46050 293.15 Excess ...
ρl [939.14; 951.85] kg/m3 [293.15; 308.15] Show Hide
ρl 951.85 kg/m3 293.15 Thermod...
ρl 950.20 kg/m3 298.15 Excess ...
ρl 947.62 kg/m3 298.15 Thermod...
ρl 943.38 kg/m3 303.15 Thermod...
ρl 939.14 kg/m3 308.15 Thermod...
ΔfusS [1.80; 54.60] J/mol×K [227.00; 259.30] Show Hide
ΔfusS 54.60 J/mol×K 227.00 NIST
ΔfusS 1.80 J/mol×K 232.60 NIST
ΔfusS 5.40 J/mol×K 259.30 NIST
csound,fluid [1409.60; 1477.30] m/s [293.15; 308.15] Show Hide
csound,fluid 1477.30 m/s 293.15 Thermod...
csound,fluid 1455.00 m/s 298.15 Thermod...
csound,fluid 1432.40 m/s 303.15 Thermod...
csound,fluid 1409.60 m/s 308.15 Thermod...

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [332.06; 481.87] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.39934e+01
Coefficient B-3.54832e+03
Coefficient C-7.31660e+01
Temperature range, min.332.06
Temperature range, max.481.87
Pvap 1.33 kPa 332.06 Calculated Property
Pvap 3.05 kPa 348.71 Calculated Property
Pvap 6.36 kPa 365.35 Calculated Property
Pvap 12.23 kPa 382.00 Calculated Property
Pvap 22.01 kPa 398.64 Calculated Property
Pvap 37.41 kPa 415.29 Calculated Property
Pvap 60.53 kPa 431.93 Calculated Property
Pvap 93.84 kPa 448.58 Calculated Property
Pvap 140.18 kPa 465.22 Calculated Property
Pvap 202.66 kPa 481.87 Calculated Property
Pvap [8.31; 130.61] kPa [373.15; 464.15] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.20417e+01
Coefficient B-9.03252e+03
Coefficient C-1.12400e+01
Coefficient D6.06481e-06
Temperature range, min.373.15
Temperature range, max.464.15
Pvap 8.31 kPa 373.15 Calculated Property
Pvap 12.20 kPa 383.26 Calculated Property
Pvap 17.50 kPa 393.37 Calculated Property
Pvap 24.57 kPa 403.48 Calculated Property
Pvap 33.80 kPa 413.59 Calculated Property
Pvap 45.68 kPa 423.71 Calculated Property
Pvap 60.70 kPa 433.82 Calculated Property
Pvap 79.45 kPa 443.93 Calculated Property
Pvap 102.53 kPa 454.04 Calculated Property
Pvap 130.61 kPa 464.15 Calculated Property

Similar Compounds

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

Find more compounds similar to Cycloheptanone.

Mixtures

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