Chemical Properties of Copabornyl acetate

InChI

InChI=1S/C18H30O2/c1-11(2)13-6-8-17(4)15-7-9-18(17,5)16(14(15)10-13)20-12(3)19/h11,13-16H,6-10H2,1-5H3/t13-,14?,15?,16?,17?,18+/m0/s1

InChI Key

GJFAKHNOJIESPI-LJBIOTSSSA-N

Formula

C18H30O2

SMILES

CC(=O)OC1C2C[C@@H](C(C)C)CCC3(C)C2CC[C@]13C

Molecular Weight¹

278.44

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.04	kJ/mol	Joback Calculated Property
logPoct/wat	4.427		Crippen Calculated Property
McVol	239.340	ml/mol	McGowan Calculated Property
Inp	[1661.00; 1661.00]
Inp	1661.00		NIST
Inp	1661.00		NIST
I	1995.00		NIST
Tboil	569.15	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[743.64; 875.07]	J/mol×K	[684.45; 901.70]
Cp,gas	743.64	J/mol×K	684.45	Joback Calculated Property
Cp,gas	767.29	J/mol×K	720.66	Joback Calculated Property
Cp,gas	789.90	J/mol×K	756.87	Joback Calculated Property
Cp,gas	811.73	J/mol×K	793.08	Joback Calculated Property
Cp,gas	833.03	J/mol×K	829.29	Joback Calculated Property
Cp,gas	854.06	J/mol×K	865.50	Joback Calculated Property
Cp,gas	875.07	J/mol×K	901.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Copabornyl 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.