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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.05; 759.82]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.80000e+01
Coefficient B			1.57380e+00
Coefficient C			-9.82080e-04
Coefficient D			2.26100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	303.05	J/mol×K	273.00	Calculated Property
Cp,gas	385.87	J/mol×K	353.78	Calculated Property
Cp,gas	459.00	J/mol×K	434.56	Calculated Property
Cp,gas	523.17	J/mol×K	515.33	Calculated Property
Cp,gas	579.07	J/mol×K	596.11	Calculated Property
Cp,gas	627.44	J/mol×K	676.89	Calculated Property
Cp,gas	668.99	J/mol×K	757.67	Calculated Property
Cp,gas	704.42	J/mol×K	838.44	Calculated Property
Cp,gas	734.46	J/mol×K	919.22	Calculated Property
Cp,gas	759.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014225; 0.0002044]	Pa×s	[404.50; 642.46]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.17929e+01
Coefficient B			2.11859e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			404.50
Temperature range, max.			642.46
η	0.0014225	Pa×s	404.50	Calculated Property
η	0.0010316	Pa×s	430.94	Calculated Property
η	0.0007764	Pa×s	457.38	Calculated Property
η	0.0006028	Pa×s	483.82	Calculated Property
η	0.0004804	Pa×s	510.26	Calculated Property
η	0.0003915	Pa×s	536.70	Calculated Property
η	0.0003253	Pa×s	563.14	Calculated Property
η	0.0002748	Pa×s	589.58	Calculated Property
η	0.0002355	Pa×s	616.02	Calculated Property
η	0.0002044	Pa×s	642.46	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

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