Chemical Properties of (+)«beta»-Desmotroposantonin acetate (CAS 14794-69-5)

InChI

InChI=1S/C17H20O4/c1-8-7-14(20-11(4)18)10(3)15-12(8)5-6-13-9(2)17(19)21-16(13)15/h7,9,13,16H,5-6H2,1-4H3

InChI Key

ZWPKGSNVVQTUMS-UHFFFAOYSA-N

Formula

C17H20O4

SMILES

CC(=O)Oc1cc(C)c2c(c1C)C1OC(=O)C(C)C1CC2

Molecular Weight¹

288.34

CAS

14794-69-5

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[658.81; 737.84]	J/mol×K	[756.14; 970.25]
Cp,gas	658.81	J/mol×K	756.14	Joback Calculated Property
Cp,gas	674.50	J/mol×K	791.82	Joback Calculated Property
Cp,gas	689.10	J/mol×K	827.51	Joback Calculated Property
Cp,gas	702.68	J/mol×K	863.19	Joback Calculated Property
Cp,gas	715.30	J/mol×K	898.88	Joback Calculated Property
Cp,gas	727.00	J/mol×K	934.56	Joback Calculated Property
Cp,gas	737.84	J/mol×K	970.25	Joback Calculated Property
η	[0.0009362; 0.0020654]	Pa×s	[477.67; 756.14]
η	0.0020654	Pa×s	477.67	Joback Calculated Property
η	0.0017076	Pa×s	524.08	Joback Calculated Property
η	0.0014561	Pa×s	570.49	Joback Calculated Property
η	0.0012718	Pa×s	616.90	Joback Calculated Property
η	0.0011321	Pa×s	663.32	Joback Calculated Property
η	0.0010231	Pa×s	709.73	Joback Calculated Property
η	0.0009362	Pa×s	756.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)«beta»-Desmotroposantonin acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.