Chemical Properties of 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»)- (CAS 6831-17-0)

2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»)-

InChI
InChI=1S/C15H22O/c1-9-6-5-7-10-8-11(16)12-13(14(12,2)3)15(9,10)4/h8-9,12-13H,5-7H2,1-4H3/t9-,12?,13?,15+/m0/s1
InChI Key
UGVIZCBJCSXBCJ-PUZVGVIGSA-N
Formula
C15H22O
SMILES
CC1CCCC2=CC(=O)C3C(C3(C)C)C21C
Molecular Weight1
218.33
CAS
6831-17-0
Other Names
  • 2H-Cyclopropa[a]naphthalen-2-one, 1,1a«beta»,4,5,6,7,7a,7b«beta»-octahydro-1,1,7«beta»,7a«beta»-tetramethyl-
  • Aristolone
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
ΔfusH° 14.70 kJ/mol Joback Calculated Property
logPoct/wat 3.594 Crippen Calculated Property
McVol 186.900 ml/mol McGowan Calculated Property
Inp [1723.00; 1787.00]   Show Hide
Inp 1762.00 NIST
Inp 1775.90 NIST
Inp 1787.00 NIST
Inp 1762.00 NIST
Inp 1772.00 NIST
Inp 1752.00 NIST
Inp 1763.00 NIST
Inp Outlier 1723.00 NIST
Inp 1745.00 NIST
Inp 1757.00 NIST
Inp 1758.00 NIST
Inp 1763.00 NIST
Inp 1763.00 NIST
Inp 1746.00 NIST
Inp 1746.00 NIST
Inp 1775.90 NIST
I [2284.00; 2287.00]   Show Hide
I 2284.00 NIST
I 2287.00 NIST
I 2284.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [542.90; 662.89] J/mol×K [634.46; 873.09] Show Hide
Cp,gas 542.90 J/mol×K 634.46 Joback Calculated Property
Cp,gas 564.64 J/mol×K 674.23 Joback Calculated Property
Cp,gas 585.28 J/mol×K 714.00 Joback Calculated Property
Cp,gas 605.11 J/mol×K 753.77 Joback Calculated Property
Cp,gas 624.46 J/mol×K 793.54 Joback Calculated Property
Cp,gas 643.61 J/mol×K 833.32 Joback Calculated Property
Cp,gas 662.89 J/mol×K 873.09 Joback Calculated Property

Similar Compounds

24-Norursa-3,12-dien-11-one. 4,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-one. Progesterone. 8-Isopropyl-1,5-dimethyltricyclo[4.4.0.02,7]dec-4-en-3-one. «alpha»-Longipinen-2-one (Vulgarone B). Longiverbenone. (-)-nootkatone. Androsta-4-ene-3,17-dione, 1alpha-deuterio-. Androstenedione. Nootkatone. Androst-4-ene-3,11,17-trione. Eremophyla-9,11-dien-8-one. 9,11-Eremophiladien-8-one. 3-Oxoandrost-4-ene-17B-carboxaldehyde. Gansongone.

Find more compounds similar to 2H-Cyclopropa[a]naphthalen-2-one, 1,1a,4,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, (1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»)-.

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.
These property values are available through the Cheméo API. A free account gives you an access key.