Chemical Properties of Bornyl anthranilate

InChI

InChI=1S/C17H23NO2/c1-16(2)11-8-9-17(16,3)14(10-11)20-15(19)12-6-4-5-7-13(12)18/h4-7,11,14H,8-10,18H2,1-3H3

InChI Key

KOTJVSKKXGQEQQ-UHFFFAOYSA-N

Formula

C17H23NO2

SMILES

CC1(C)C2CCC1(C)C(OC(=O)c1ccccc1N)C2

Molecular Weight¹

273.37

• 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_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°	26.72	kJ/mol	Joback Calculated Property
logPoct/wat	3.640		Crippen Calculated Property
McVol	222.330	ml/mol	McGowan Calculated Property
Inp	[2192.60; 2192.60]
Inp	2192.60		NIST
Inp	2192.60		NIST
Tboil	622.12	K	Relay (1.0) Calculated Property
Tfus	409.33	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[293.02; 808.12]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.93980e+02
Coefficient B			2.31056e+00
Coefficient C			-2.16236e-03
Coefficient D			8.53900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	293.02	J/mol×K	273.00	Calculated Property
Cp,gas	390.62	J/mol×K	353.78	Calculated Property
Cp,gas	471.82	J/mol×K	434.56	Calculated Property
Cp,gas	539.34	J/mol×K	515.33	Calculated Property
Cp,gas	595.86	J/mol×K	596.11	Calculated Property
Cp,gas	644.09	J/mol×K	676.89	Calculated Property
Cp,gas	686.73	J/mol×K	757.67	Calculated Property
Cp,gas	726.48	J/mol×K	838.44	Calculated Property
Cp,gas	766.05	J/mol×K	919.22	Calculated Property
Cp,gas	808.12	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Bornyl 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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