Chemical Properties of Isoabienol

InChI

InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,16-17,21H,1-2,8-14H2,3-6H3/t16-,17?,19-,20+/m0/s1

InChI Key

JTWQQJDENGGSBJ-KOQQBVACSA-N

Formula

C20H34O

SMILES

C=CC(=C)CCC1C(C)(O)CCC2C(C)(C)CCCC21C

Molecular Weight¹

290.48

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.96	kJ/mol	Joback Calculated Property
logPoct/wat	5.502		Crippen Calculated Property
McVol	268.210	ml/mol	McGowan Calculated Property
Inp	[2070.00; 2107.00]
Inp	2078.00		NIST
Inp	2070.00		NIST
Inp	2107.00		NIST
Inp	2107.00		NIST
I	[2606.00; 2606.00]
I	2606.00		NIST
I	2606.00		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	[854.43; 996.99]	J/mol×K	[759.69; 968.49]
Cp,gas	854.43	J/mol×K	759.69	Joback Calculated Property
Cp,gas	877.58	J/mol×K	794.49	Joback Calculated Property
Cp,gas	900.58	J/mol×K	829.29	Joback Calculated Property
Cp,gas	923.73	J/mol×K	864.09	Joback Calculated Property
Cp,gas	947.32	J/mol×K	898.89	Joback Calculated Property
Cp,gas	971.64	J/mol×K	933.69	Joback Calculated Property
Cp,gas	996.99	J/mol×K	968.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isoabienol.

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.