Chemical Properties of 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-, (4ar-cis)- (CAS 19598-45-9)

2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-, (4ar-cis)-

PDF Excel Molecule Calculator
InChI
InChI=1S/C15H22O/c1-10(2)13-9-15(4)11(3)6-5-7-12(15)8-14(13)16/h8,11H,5-7,9H2,1-4H3/t11-,15+/m1/s1
InChI Key
DZOKWSREAZGFFC-ABAIWWIYSA-N
Formula
C15H22O
SMILES
CC(C)=C1CC2(C)C(=CC1=O)CCCC2C
Molecular Weight1
218.33
CAS
19598-45-9
Other Names
  • (4aR,5S)-4a,5-Dimethyl-3-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
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 77.68 kJ/mol Joback Calculated Property
Δfgas -241.88 kJ/mol Joback Calculated Property
Δfus 15.53 kJ/mol Joback Calculated Property
Δvap 54.42 kJ/mol Joback Calculated Property
log10WS -4.39 Crippen Calculated Property
logPoct/wat 4.048 Crippen Calculated Property
McVol 193.460 ml/mol McGowan Calculated Property
Pc 2137.41 kPa Joback Calculated Property
Inp [1813.00; 1820.30]   Show Hide
Inp 1820.30 NIST
Inp 1813.00 NIST
I [2404.00; 2404.00]   Show Hide
I 2404.00 NIST
I 2404.00 NIST
Tboil 651.88 K Joback Calculated Property
Tc 891.67 K Joback Calculated Property
Tfus 382.41 K Joback Calculated Property
Vc 0.733 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [539.30; 652.93] J/mol×K [651.88; 891.67] Show Hide
Cp,gas 539.30 J/mol×K 651.88 Joback Calculated Property
Cp,gas 560.66 J/mol×K 691.85 Joback Calculated Property
Cp,gas 580.83 J/mol×K 731.81 Joback Calculated Property
Cp,gas 599.99 J/mol×K 771.78 Joback Calculated Property
Cp,gas 618.29 J/mol×K 811.74 Joback Calculated Property
Cp,gas 635.88 J/mol×K 851.71 Joback Calculated Property
Cp,gas 652.93 J/mol×K 891.67 Joback Calculated Property

Similar Compounds

Dehydrofukinone. 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)-, (4R-cis)-. 13-nor-Eremophila-1(10),6-dien-11-one. (E)-Eremophila 1(10),7(11)-dien-12-al. (Z)-Isovalencenal [eremophila-1(10),7(11)-dien-12-al. (E)-Isovalencenal [eremophila-1(10),7(11)-dien-12-al. (Z)-2-((8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-ylidene)propanal. «beta»-Vetivone. Spirovetiva-3,7(11)-dien-12-al. (+)-Eudesma-3,7(11)-dien-8-one. (+)-(5S,10S)-Eudesma-3,7(11)-dien-8-one. 13-nor-trans-Eudesma-4(15),7-dien-11-one. 4,22-Stigmastadiene-3-one. Ergosta-4,22-dien-3-one. «gamma»-Sitostenone.

Find more compounds similar to 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4a,5-dimethyl-3-(1-methylethylidene)-, (4ar-cis)-.

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.