Chemical Properties of Occidol acetate

InChI

InChI=1S/C17H24O2/c1-11-6-7-12(2)16-10-14(8-9-15(11)16)17(4,5)19-13(3)18/h6-7,14H,8-10H2,1-5H3

InChI Key

JBIUFFGIDNZYFQ-UHFFFAOYSA-N

Formula

C17H24O2

SMILES

CC(=O)OC(C)(C)C1CCc2c(C)ccc(C)c2C1

Molecular Weight¹

260.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	25.65	kJ/mol	Joback Calculated Property
logPoct/wat	3.750		Crippen Calculated Property
McVol	223.210	ml/mol	McGowan Calculated Property
Inp	[1974.00; 1974.00]
Inp	1974.00		NIST
Inp	1974.00		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	[637.96; 733.97]	J/mol×K	[696.18; 917.80]
Cp,gas	637.96	J/mol×K	696.18	Joback Calculated Property
Cp,gas	657.04	J/mol×K	733.12	Joback Calculated Property
Cp,gas	674.80	J/mol×K	770.05	Joback Calculated Property
Cp,gas	691.30	J/mol×K	806.99	Joback Calculated Property
Cp,gas	706.62	J/mol×K	843.93	Joback Calculated Property
Cp,gas	720.82	J/mol×K	880.86	Joback Calculated Property
Cp,gas	733.97	J/mol×K	917.80	Joback Calculated Property
η	[0.0001585; 0.0014225]	Pa×s	[404.50; 696.18]
η	0.0014225	Pa×s	404.50	Joback Calculated Property
η	0.0008110	Pa×s	453.11	Joback Calculated Property
η	0.0005156	Pa×s	501.73	Joback Calculated Property
η	0.0003550	Pa×s	550.34	Joback Calculated Property
η	0.0002598	Pa×s	598.95	Joback Calculated Property
η	0.0001992	Pa×s	647.57	Joback Calculated Property
η	0.0001585	Pa×s	696.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Occidol 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.
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