Chemical Properties of (E)-Nuciferol isobutyrate

InChI

InChI=1S/C18H26O2/c1-13(2)18(19)20-16(5)8-6-7-15(4)17-11-9-14(3)10-12-17/h8-13,15H,6-7H2,1-5H3/b16-8+

InChI Key

HPZWBNSNFMOEME-LZYBPNLTSA-N

Formula

C18H26O2

SMILES

C/C(=C\CCC(C)c1ccc(C)cc1)OC(=O)C(C)C

Molecular Weight¹

274.40

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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°	30.66	kJ/mol	Joback Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
logPoct/wat	4.982		Crippen Calculated Property
McVol	243.860	ml/mol	McGowan Calculated Property
Inp	[2004.00; 2004.00]
Inp	2004.00		NIST
Inp	2004.00		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, 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	[688.06; 780.52]	J/mol×K	[722.35; 930.19]
Cp,gas	688.06	J/mol×K	722.35	Joback Calculated Property
Cp,gas	706.05	J/mol×K	756.99	Joback Calculated Property
Cp,gas	722.94	J/mol×K	791.63	Joback Calculated Property
Cp,gas	738.79	J/mol×K	826.27	Joback Calculated Property
Cp,gas	753.64	J/mol×K	860.91	Joback Calculated Property
Cp,gas	767.53	J/mol×K	895.55	Joback Calculated Property
Cp,gas	780.52	J/mol×K	930.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-Nuciferol isobutyrate.

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.