Chemical Properties of Oplopanoyl acetate

InChI

InChI=1S/C17H28O3/c1-10(2)13-8-9-17(5,20-12(4)19)15-7-6-14(11(3)18)16(13)15/h10,13-16H,6-9H2,1-5H3/t13-,14+,15?,16?,17+/m0/s1

InChI Key

DMVJXSFUJUHRRF-CWHQUEMWSA-N

Formula

C17H28O3

SMILES

CC(=O)O[C@]1(C)CC[C@@H](C(C)C)C2C1CC[C@@H]2C(C)=O

Molecular Weight¹

280.41

Other Names

• Oplopanonyl acetate

• 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°	29.12	kJ/mol	Joback Calculated Property
logPoct/wat	3.606		Crippen Calculated Property
McVol	237.680	ml/mol	McGowan Calculated Property
Inp	[1881.00; 1890.10]
Inp	1881.00		NIST
Inp	1890.10		NIST
Inp	1890.10		NIST
Inp	1881.00		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	[324.37; 886.16]	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			-1.29500e+02
Coefficient B			2.02740e+00
Coefficient C			-1.45850e-03
Coefficient D			4.46760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.37	J/mol×K	273.00	Calculated Property
Cp,gas	424.99	J/mol×K	353.78	Calculated Property
Cp,gas	512.76	J/mol×K	434.56	Calculated Property
Cp,gas	589.10	J/mol×K	515.33	Calculated Property
Cp,gas	655.42	J/mol×K	596.11	Calculated Property
Cp,gas	713.13	J/mol×K	676.89	Calculated Property
Cp,gas	763.64	J/mol×K	757.67	Calculated Property
Cp,gas	808.38	J/mol×K	838.44	Calculated Property
Cp,gas	848.75	J/mol×K	919.22	Calculated Property
Cp,gas	886.16	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Oplopanoyl 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.