Chemical Properties of (+)-12-Acetoxygymnomitr-3(15)-ene

(+)-12-Acetoxygymnomitr-3(15)-ene

InChI
InChI=1S/C17H26O2/c1-12-6-9-15(3)10-14(12)17(11-19-13(2)18)8-5-7-16(15,17)4/h14H,1,5-11H2,2-4H3/t14-,15-,16-,17-/m1/s1
InChI Key
ZLCSCWKWOJMNOO-QBPKDAKJSA-N
Formula
C17H26O2
SMILES
C=C1CCC2(C)CC1C1(COC(C)=O)CCCC21C
Molecular Weight1
262.39
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
Δfus 15.38 kJ/mol Joback Calculated Property
logPoct/wat 4.102 Crippen Calculated Property
McVol 220.950 ml/mol McGowan Calculated Property
Inp [1794.00; 1794.00]   Show Hide
Inp 1794.00 NIST
Inp 1794.00 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 [654.94; 778.35] J/mol×K [670.75; 897.03] Show Hide
Cp,gas 654.94 J/mol×K 670.75 Joback Calculated Property
Cp,gas 676.03 J/mol×K 708.46 Joback Calculated Property
Cp,gas 696.39 J/mol×K 746.18 Joback Calculated Property
Cp,gas 716.41 J/mol×K 783.89 Joback Calculated Property
Cp,gas 736.49 J/mol×K 821.61 Joback Calculated Property
Cp,gas 757.00 J/mol×K 859.32 Joback Calculated Property
Cp,gas 778.35 J/mol×K 897.03 Joback Calculated Property

Similar Compounds

Cedren-13-ol acetate. Birkenyl acetate. Cedr-8-en-13-yl, acetate. Preziza-7(15)-en-12-yl acetate. Ziza-6(13)-en-12-yl acetate. 10-epi-Italicen-12-yl acetate. Italicen-12-yl acetate. ((1S,4aR,4bS,10aR)-1,4a-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-1-yl)methyl acetate. 12-Hydroxy-«beta»-caryophyllene acetate. [14C] GA15, methyl ester. [14C4]GA15 methyl ester TMS ether. Gibbane-1,10-dicarboxylic acid, 4a-(hydroxymethyl)-1-methyl-8-methylene-, 1,4a-lactone, 10-methyl ester, (1«alpha»,4a«alpha»,4b«beta»,10«beta»)-. 14-Acetoxy-4,5-dihydro- .beta.-caryophyllene. 2-(2,2-dimethyl-6-methylenecyclohexyl)-ethyl acetate. Funebr-3(15)-en-14-yl methyl ether.

Find more compounds similar to (+)-12-Acetoxygymnomitr-3(15)-ene.

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.