Chemical Properties of 3-Cyclohexen-1-one, 3,5,5-trimethyl- (CAS 471-01-2)

3-Cyclohexen-1-one, 3,5,5-trimethyl-

PDF Excel Molecule Calculator
InChI
InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h5H,4,6H2,1-3H3
InChI Key
LKOKKQDYMZUSCG-UHFFFAOYSA-N
Formula
C9H14O
SMILES
CC1=CC(C)(C)CC(=O)C1
Molecular Weight1
138.21
CAS
471-01-2
Other Names
  • «beta»-Isophorone
  • «beta»-Phorone
  • 3,5,5-Trimethyl-3-cyclohexene-1-one
  • 3,5,5-Trimethylcyclohex-3-en-1-one
  • 3,5,5-trimethyl-3-cyclohexen-1-one
  • 3,5,5-Trimethylcyclohex-3-enone
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 -58.40 kJ/mol Joback Calculated Property
Δfgas -250.92 kJ/mol Joback Calculated Property
Δfus 4.95 kJ/mol Joback Calculated Property
Δvap 40.11 kJ/mol Joback Calculated Property
log10WS -2.38 Crippen Calculated Property
logPoct/wat 2.322 Crippen Calculated Property
McVol 124.080 ml/mol McGowan Calculated Property
Pc 3170.40 kPa Joback Calculated Property
Inp [1042.50; 1044.00]   Show Hide
Inp 1044.00 NIST
Inp 1042.50 NIST
Inp 1044.00 NIST
Inp 1044.00 NIST
Inp 1042.50 NIST
I [1402.00; 1429.00]   Show Hide
I 1416.00 NIST
I 1416.00 NIST
I 1408.00 NIST
I 1402.00 NIST
I 1402.00 NIST
I Outlier 1429.00 NIST
I 1410.00 NIST
I 1402.00 NIST
I 1402.00 NIST
I 1420.00 NIST
I 1408.00 NIST
I 1416.00 NIST
Tboil 497.07 K Joback Calculated Property
Tc 727.23 K Joback Calculated Property
Tfus 303.97 K Joback Calculated Property
Vc 0.464 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [275.69; 361.03] J/mol×K [497.07; 727.23] Show Hide
Cp,gas 275.69 J/mol×K 497.07 Joback Calculated Property
Cp,gas 291.98 J/mol×K 535.43 Joback Calculated Property
Cp,gas 307.32 J/mol×K 573.79 Joback Calculated Property
Cp,gas 321.80 J/mol×K 612.15 Joback Calculated Property
Cp,gas 335.52 J/mol×K 650.51 Joback Calculated Property
Cp,gas 348.57 J/mol×K 688.87 Joback Calculated Property
Cp,gas 361.03 J/mol×K 727.23 Joback Calculated Property

Similar Compounds

3,3-dimethylcyclohex-1-eneacetaldehyde. Isophorone. 5-Octen-2-one, 6-methyl-8-(2,6,6-trimethyl-1-cyclohexen-1-yl)-. 4-Oxo-«beta»-damascone. 3-oxo-R-damascone 1. 2(1H)Naphthalenone, 3,5,6,7,8,8a-hexahydro-4,8a-dimethyl-6-(1-methylethenyl)-. 1,3,3-Trimethylcyclohex-1-ene-4-carboxaldehyde, (+,-)-. 3-Methyl-3-cyclohexen-1-one. 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(3-oxo-1-butenyl)-, (E)-. 6-p-Menthen-3-one. Ethanone, 1-(1,3-dimethyl-3-cyclohexen-1-yl)-. Karahanaenone. (8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-one. humuladienone. 2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-.

Find more compounds similar to 3-Cyclohexen-1-one, 3,5,5-trimethyl-.

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.