Chemical Properties of Nicolaioidesin C (CAS 475579-27-2)

Nicolaioidesin C

InChI
InChI=1S/C26H30O4/c1-17(2)8-7-9-18-12-13-21(22(14-18)19-10-5-4-6-11-19)26(29)25-23(27)15-20(30-3)16-24(25)28/h4-6,8,10-12,15-16,21-22,27-28H,7,9,13-14H2,1-3H3
InChI Key
VJYZXZFPGQYBKT-UHFFFAOYSA-N
Formula
C26H30O4
SMILES
COc1cc(O)c(C(=O)C2CC=C(CCC=C(C)C)CC2c2ccccc2)c(O)c1
Molecular Weight1
406.51
CAS
475579-27-2
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 57.77 kJ/mol Joback Calculated Property
logPoct/wat 6.156 Crippen Calculated Property
McVol 329.400 ml/mol McGowan Calculated Property
Inp [3225.30; 3225.30]   Show Hide
Inp 3225.30 NIST
Inp 3225.30 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 [1152.53; 1281.06] J/mol×K [1113.41; 1373.68] Show Hide
Cp,gas 1152.53 J/mol×K 1113.41 Joback Calculated Property
Cp,gas 1172.50 J/mol×K 1156.79 Joback Calculated Property
Cp,gas 1192.70 J/mol×K 1200.17 Joback Calculated Property
Cp,gas 1213.39 J/mol×K 1243.54 Joback Calculated Property
Cp,gas 1234.84 J/mol×K 1286.92 Joback Calculated Property
Cp,gas 1257.31 J/mol×K 1330.30 Joback Calculated Property
Cp,gas 1281.06 J/mol×K 1373.68 Joback Calculated Property

Similar Compounds

Nicolaioidesin B. Nicolaioidesin A. Panduratin A. «DELTA»8-Tetrahydrocannabinol. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. risperidone. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Nalmefene, bis(trifluoroacetate). Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. cannabidiolic acid, phenyl-boronate. 6-Tetrahydrocannabinol, TMS. 9H-Purine, 9-[2-deoxy-3-O-(trimethylsilyl)-«beta»-D-erythro-pentofuranosyl]-6-(trimethylsiloxy)-2-[(trimethylsilyl)amino]-, 5'-[bis(trimethylsilyl) phospate]. Brucine. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate.

Find more compounds similar to Nicolaioidesin C.

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.