Chemical Properties of 2-Cyclohexen-1-one (CAS 930-68-7)

2-Cyclohexen-1-one

PDF Excel Molecule Calculator
InChI
InChI=1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChI Key
FWFSEYBSWVRWGL-UHFFFAOYSA-N
Formula
C6H8O
SMILES
O=C1C=CCCC1
Molecular Weight1
96.13
CAS
930-68-7
Other Names
  • 1-Cyclohexen-3-one
  • 2-Cyclohexene-1-one
  • 2-Cyclohexenone-1
  • 2-cyclohexenone
  • Cyclohex-2-en-1-one
  • Cyclohexen-2-one
  • Cyclohexen-3-one
  • cyclohex-2-enone
  • cyclohexenone
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δf -60.83 kJ/mol Joback Calculated Property
Δfgas -172.43 kJ/mol Joback Calculated Property
Δfus 2.79 kJ/mol Joback Calculated Property
Δvap 49.50 ± 0.40 kJ/mol NIST
IE [9.20; 9.37] eV Show Hide
IE 9.23 ± 0.05 eV NIST
IE 9.20 eV NIST
IE 9.37 eV NIST
log10WS -1.36 Crippen Calculated Property
logPoct/wat 1.296 Crippen Calculated Property
McVol 81.810 ml/mol McGowan Calculated Property
Pc 4530.00 ± 250.00 kPa NIST
ρc 315.30 ± 20.19 kg/m3 NIST
Inp [136.20; 939.00]   Show Hide
Inp 920.00 NIST
Inp 927.00 NIST
Inp 939.00 NIST
Inp 885.00 NIST
Inp 914.00 NIST
Inp 914.00 NIST
Inp Outlier 136.20 NIST
I [1410.00; 1468.00]   Show Hide
I 1413.00 NIST
I 1437.00 NIST
I 1425.00 NIST
I 1437.00 NIST
I 1438.00 NIST
I 1412.00 NIST
I 1437.00 NIST
I 1424.00 NIST
I 1413.00 NIST
I Outlier 1462.00 NIST
I 1433.00 NIST
I Outlier 1468.00 NIST
I 1410.00 NIST
I 1410.00 NIST
I 1412.00 NIST
I 1421.00 NIST
I 1421.00 NIST
I 1422.00 NIST
I 1425.00 NIST
I 1413.00 NIST
I 1412.00 NIST
I 1410.00 NIST
I 1425.00 NIST
Tboil [440.50; 443.20] K Show Hide
Tboil 441.20 K NIST
Tboil 443.20 K NIST
Tboil 440.50 ± 0.50 K NIST
Tc 685.00 ± 6.00 K NIST
Tfus 237.98 K Joback Calculated Property
Vc 0.298 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [149.01; 215.77] J/mol×K [427.88; 657.68] Show Hide
Cp,gas 149.01 J/mol×K 427.88 Joback Calculated Property
Cp,gas 161.60 J/mol×K 466.18 Joback Calculated Property
Cp,gas 173.60 J/mol×K 504.48 Joback Calculated Property
Cp,gas 185.03 J/mol×K 542.78 Joback Calculated Property
Cp,gas 195.87 J/mol×K 581.08 Joback Calculated Property
Cp,gas 206.12 J/mol×K 619.38 Joback Calculated Property
Cp,gas 215.77 J/mol×K 657.68 Joback Calculated Property
ΔvapH 45.00 kJ/mol 398.00 NIST
Pvap [4.15; 100.40] kPa [350.40; 445.00] Show Hide
Pvap 4.15 kPa 350.40 Vapor P...
Pvap 4.79 kPa 353.66 Vapor P...
Pvap 5.66 kPa 357.56 Vapor P...
Pvap 6.71 kPa 361.48 Vapor P...
Pvap 8.10 kPa 366.16 Vapor P...
Pvap 9.58 kPa 370.32 Vapor P...
Pvap 11.46 kPa 374.97 Vapor P...
Pvap 13.31 kPa 379.00 Vapor P...
Pvap 14.06 kPa 380.50 Vapor P...
Pvap 17.53 kPa 386.63 Vapor P...
Pvap 18.68 kPa 388.40 Vapor P...
Pvap 20.95 kPa 391.77 Vapor P...
Pvap 25.20 kPa 397.16 Vapor P...
Pvap 32.03 kPa 404.53 Vapor P...
Pvap 35.56 kPa 407.95 Vapor P...
Pvap 39.01 kPa 410.86 Vapor P...
Pvap 57.64 kPa 424.23 Vapor P...
Pvap 99.00 kPa 444.48 Vapor-L...
Pvap 99.00 kPa 444.51 Vapor-L...
Pvap 100.40 kPa 445.00 Vapor P...

Similar Compounds

2-Cycloocten-1-one. 2-Cyclohepten-1-one. 3-Nonen-5-one. 3-Decen-5-one. 3-Cyclohepten-1-one. trans-3-Nonen-2-one. 3-Nonen-2-one. 3-Decen-2-one. undec-3-en-2-one. cyclohex-3-en-1-one. 9-Cycloheptadecen-1-one, (Z)-. Z,Z-6,25-Tetratriactontadien-2-one. (Z)-6-Pentadecen-2-one. 6-Octen-2-one, (Z)-. 6-Octen-2-one.

Find more compounds similar to 2-Cyclohexen-1-one.

Mixtures

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.