Chemical Properties of Dehydroabietol ethyl benzoate

InChI

InChI=1S/C28H36O2/c1-20(2)22-11-13-24-23(19-22)12-14-25-27(3,15-8-16-28(24,25)4)17-18-30-26(29)21-9-6-5-7-10-21/h5-7,9-11,13,19-20,25H,8,12,14-18H2,1-4H3

InChI Key

PXADAXYXIKCJHQ-UHFFFAOYSA-N

Formula

C28H36O2

SMILES

CC(C)c1ccc2c(c1)CCC1C(C)(CCOC(=O)c3ccccc3)CCCC21C

Molecular Weight¹

404.59

• 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.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.97	kJ/mol	Joback Calculated Property
logPoct/wat	7.067		Crippen Calculated Property
McVol	343.580	ml/mol	McGowan Calculated Property
Inp	[3230.30; 3230.30]
Inp	3230.30		NIST
Inp	3230.30		NIST
Tfus	354.44	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[1199.10; 1394.53]	J/mol×K	[979.17; 1224.27]
Cp,gas	1199.10	J/mol×K	979.17	Joback Calculated Property
Cp,gas	1228.00	J/mol×K	1020.02	Joback Calculated Property
Cp,gas	1257.84	J/mol×K	1060.87	Joback Calculated Property
Cp,gas	1289.01	J/mol×K	1101.72	Joback Calculated Property
Cp,gas	1321.92	J/mol×K	1142.57	Joback Calculated Property
Cp,gas	1356.96	J/mol×K	1183.42	Joback Calculated Property
Cp,gas	1394.53	J/mol×K	1224.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dehydroabietol ethyl benzoate.

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.
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