Chemical Properties of .beta.-Eudesmol, acetate

InChI

InChI=1S/C17H28O2/c1-12-7-6-9-17(5)10-8-14(11-15(12)17)16(3,4)19-13(2)18/h14-15H,1,6-11H2,2-5H3/t14-,15?,17-/m1/s1

InChI Key

UIMWPYYYFGCEJP-AYWPPYMVSA-N

Formula

C17H28O2

SMILES

C=C1CCC[C@]2(C)CC[C@@H](C(C)(C)OC(C)=O)CC12

Molecular Weight¹

264.41

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	18.22	kJ/mol	Joback Calculated Property
logPoct/wat	4.491		Crippen Calculated Property
McVol	231.810	ml/mol	McGowan Calculated Property
Inp	[1749.00; 1793.00]
Inp	1789.00		NIST
Inp	1791.70		NIST
Inp	Outlier 1749.00		NIST
Inp	1792.00		NIST
Inp	1793.00		NIST
Inp	1772.00		NIST
Inp	1776.00		NIST
Inp	1776.00		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	[309.38; 854.62]	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			-1.54360e+02
Coefficient B			2.10118e+00
Coefficient C			-1.61780e-03
Coefficient D			5.25600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	309.38	J/mol×K	273.00	Calculated Property
Cp,gas	409.78	J/mol×K	353.78	Calculated Property
Cp,gas	496.35	J/mol×K	434.56	Calculated Property
Cp,gas	570.74	J/mol×K	515.33	Calculated Property
Cp,gas	634.63	J/mol×K	596.11	Calculated Property
Cp,gas	689.67	J/mol×K	676.89	Calculated Property
Cp,gas	737.53	J/mol×K	757.67	Calculated Property
Cp,gas	779.86	J/mol×K	838.44	Calculated Property
Cp,gas	818.34	J/mol×K	919.22	Calculated Property
Cp,gas	854.62	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to .beta.-Eudesmol, 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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