Chemical Properties of Linalyl anthranilate

InChI

InChI=1S/C17H23NO2/c1-5-17(4,12-8-9-13(2)3)20-16(19)14-10-6-7-11-15(14)18/h5-7,9-11H,1,8,12,18H2,2-4H3

InChI Key

WHIJSULEEDNKPD-UHFFFAOYSA-N

Formula

C17H23NO2

SMILES

C=CC(C)(CCC=C(C)C)OC(=O)c1ccccc1N

Molecular Weight¹

273.38

Other Names

• Anthranilic acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester
• Anthranilic acid, linalyl ester
• 3,7-Dimethyl-1,6-octadien-3-yl, anthranilate
• 3,7-Dimethyl-1,6-octadien-3-yl o-aminobenzoate
• 1,5-Dimethyl-1-vinyl-4-hexen-1-yl o-aminobenzoate
• 4-Hexen-1-ol, 1,5-dimethyl-1-vinyl-, o-aminobenzoate
• Linalyl o-aminobenzoate
• 1,6-Octadien-3-ol, 3,7-dimethyl-, o-aminobenzoate
• 1,6-Octadien-3-ol, 3,7-dimethyl-, 3-(2-aminobenzoate)
• NSC 72026

• 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°	33.20	kJ/mol	Joback Calculated Property
logPoct/wat	4.117		Crippen Calculated Property
McVol	235.450	ml/mol	McGowan Calculated Property
Inp	[2057.00; 2157.00]
Inp	2057.00		NIST
Inp	2057.00		NIST
Inp	2157.00		NIST
Inp	2157.00		NIST
Tboil	627.61	K	Relay (1.0) Calculated Property
Tfus	290.76	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	[323.00; 760.99]	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			-4.16080e+01
Coefficient B			1.61326e+00
Coefficient C			-1.09476e-03
Coefficient D			2.84100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	323.00	J/mol×K	273.00	Calculated Property
Cp,gas	404.69	J/mol×K	353.78	Calculated Property
Cp,gas	476.02	J/mol×K	434.56	Calculated Property
Cp,gas	537.91	J/mol×K	515.33	Calculated Property
Cp,gas	591.23	J/mol×K	596.11	Calculated Property
Cp,gas	636.90	J/mol×K	676.89	Calculated Property
Cp,gas	675.82	J/mol×K	757.67	Calculated Property
Cp,gas	708.87	J/mol×K	838.44	Calculated Property
Cp,gas	736.96	J/mol×K	919.22	Calculated Property
Cp,gas	760.99	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Linalyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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