Chemical Properties of Sandaracopimarinal (CAS 3855-14-9)

Sandaracopimarinal

InChI
InChI=1S/C20H30O/c1-5-18(2)12-9-16-15(13-18)7-8-17-19(3,14-21)10-6-11-20(16,17)4/h5,13-14,16-17H,1,6-12H2,2-4H3/t16?,17?,18-,19-,20+/m1/s1
InChI Key
JKBKXKTXDKYEOR-WKXIVMOISA-N
Formula
C20H30O
SMILES
C=CC1(C)C=C2CCC3C(C)(C=O)CCCC3(C)C2CC1
Molecular Weight1
286.45
CAS
3855-14-9
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° 16.55 kJ/mol Joback Calculated Property
logPoct/wat 5.321 Crippen Calculated Property
McVol 253.050 ml/mol McGowan Calculated Property
Inp [2152.00; 2213.60]   Show Hide
Inp 2161.00 NIST
Inp 2168.00 NIST
Inp 2185.00 NIST
Inp 2213.60 NIST
Inp 2185.00 NIST
Inp 2152.00 NIST
Inp 2185.00 NIST
Inp 2185.00 NIST
Inp 2213.60 NIST
I [2785.00; 2787.00]   Show Hide
I 2785.00 NIST
I 2787.00 NIST
I 2785.00 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 [790.90; 947.09] J/mol×K [739.43; 979.37] Show Hide
Cp,gas 790.90 J/mol×K 739.43 Joback Calculated Property
Cp,gas 816.13 J/mol×K 779.42 Joback Calculated Property
Cp,gas 841.06 J/mol×K 819.41 Joback Calculated Property
Cp,gas 866.16 J/mol×K 859.40 Joback Calculated Property
Cp,gas 891.89 J/mol×K 899.39 Joback Calculated Property
Cp,gas 918.71 J/mol×K 939.38 Joback Calculated Property
Cp,gas 947.09 J/mol×K 979.37 Joback Calculated Property

Similar Compounds

1-Phenanthrenecarboxaldehyde, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,10a«alpha»)]-. Isopimarinal. Sandaracopimaridiene. Phenanthrene, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,1,4a,7-tetramethyl-, [4aS-(4a«alpha»,4b«beta»,7«beta»,10a«beta»)]-. 15-Isopimaradiene. (1R,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthrene-1-carbaldehyde. Isopimara-7,15-dien-3-one. 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«alpha»,10a«alpha»)]-. 1-Phenanthrenecarboxylic acid, 7-ethenyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a,7-trimethyl-, methyl ester, [1R-(1«alpha»,4a«beta»,4b«alpha»,7«beta»,10a«alpha»)]-. (1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,5,6,9,10,10a-decahydrophenanthrene-1-carbaldehyde. 1-(2,2,3,5,6-Pentamethylcyclohex-4-enyl)-9-(3,3,4-trimethylcyclohex-1-enyl)-3,6-dimethyl-6-ethenyl-dec-4-ene. 5-{(4E)-3,6-dimethyl-6-[3-(3,3,4-trimethyl-1-cyclohexenyl)butyl]-4,7-octadienyl}-1,3,4,4,6-pentamethyl-1-cyclohexene, isomer # 2. 5-{(4E)-3,6-dimethyl-6-[3-(3,3,4-trimethyl-1-cyclohexenyl)butyl]-4,7-octadienyl}-1,3,4,4,6-pentamethyl-1-cyclohexene, isomer # 1. (1R,4aR,4bS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,9,10,10a-decahydrophenanthrene-1-carbaldehyde. PIMARIC ACID TMS.

Find more compounds similar to Sandaracopimarinal.

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.