Chemical Properties of (4aS,5S,8aS)-5-Isopentyl-1,1,4a,6-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene (CAS 220766-81-4)

(4aS,5S,8aS)-5-Isopentyl-1,1,4a,6-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene

InChI
InChI=1S/C19H34/c1-14(2)8-10-16-15(3)9-11-17-18(4,5)12-7-13-19(16,17)6/h9,14,16-17H,7-8,10-13H2,1-6H3/t16-,17-,19-/m0/s1
InChI Key
BMHNLNJEFVKDHC-LNLFQRSKSA-N
Formula
C19H34
SMILES
CC1=CCC2C(C)(C)CCCC2(C)C1CCC(C)C
Molecular Weight1
262.47
CAS
220766-81-4
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° 19.69 kJ/mol Joback Calculated Property
logPoct/wat 6.221 Crippen Calculated Property
McVol 252.550 ml/mol McGowan Calculated Property

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 [742.75; 881.84] J/mol×K [659.72; 873.68] Show Hide
Cp,gas 742.75 J/mol×K 659.72 Joback Calculated Property
Cp,gas 768.04 J/mol×K 695.38 Joback Calculated Property
Cp,gas 792.19 J/mol×K 731.04 Joback Calculated Property
Cp,gas 815.43 J/mol×K 766.70 Joback Calculated Property
Cp,gas 837.97 J/mol×K 802.36 Joback Calculated Property
Cp,gas 860.03 J/mol×K 838.02 Joback Calculated Property
Cp,gas 881.84 J/mol×K 873.68 Joback Calculated Property

Similar Compounds

Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-4a, 8-dimethyl-2-[1-methylethyl]-. undulatene. Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-. Naphthalene, 3,4,4a,5,6,7,8,8a-octahydro-7-isopropylene-1,4a-dimethyl-. 7-epi--Selinene. (-)-«alpha»-helmiscapene. epi-«alpha»-Selinene. 5,10-di-epi-«alpha»-Selinene. 7-diepi-«alpha»-Selinene. «beta»-Helmiscapene. ent-«alpha»-selinene. 10-epi-«alpha»-selinene. Naphthalene, 1,2,3,4,4a,5,6,8a-octahydro-4a,8-dimethyl-2-(1-methylethenyl)-, [2R-(2«alpha»,4a«alpha»,8a«beta»)]-. 7-epi-«alpha»-Selinene. Selina-4,11-diene.

Find more compounds similar to (4aS,5S,8aS)-5-Isopentyl-1,1,4a,6-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.

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