Chemical Properties of Eugenyl anthranilate (CAS 861571-50-8)

InChI

InChI=1S/C17H17NO3/c1-3-6-12-9-10-15(16(11-12)20-2)21-17(19)13-7-4-5-8-14(13)18/h3-5,7-11H,1,6,18H2,2H3

InChI Key

KFYPXGAXXLQPBI-UHFFFAOYSA-N

Formula

C17H17NO3

SMILES

C=CCc1ccc(OC(=O)c2ccccc2N)c(OC)c1

Molecular Weight¹

283.32

CAS

861571-50-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.17	kJ/mol	Joback Calculated Property
ΔvapH°	102.78	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) Calculated Property
logPoct/wat	3.225		Crippen Calculated Property
McVol	221.860	ml/mol	McGowan Calculated Property
Inp	[2437.80; 2437.80]
Inp	2437.80		NIST
Inp	2437.80		NIST
Tboil	674.06	K	Relay (1.0) Calculated Property
Tfus	336.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[628.79; 692.61]	J/mol×K	[806.71; 1042.43]
Cp,gas	628.79	J/mol×K	806.71	Joback Calculated Property
Cp,gas	642.49	J/mol×K	846.00	Joback Calculated Property
Cp,gas	654.92	J/mol×K	885.28	Joback Calculated Property
Cp,gas	666.12	J/mol×K	924.57	Joback Calculated Property
Cp,gas	676.11	J/mol×K	963.86	Joback Calculated Property
Cp,gas	684.93	J/mol×K	1003.14	Joback Calculated Property
Cp,gas	692.61	J/mol×K	1042.43	Joback Calculated Property

Similar Compounds

Find more compounds similar to Eugenyl anthranilate.

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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