Chemical Properties of (E)-3,7-dimethylocta-2,6-dienyl anthranilate (CAS 67874-69-5)

InChI

InChI=1S/C17H23NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-11H,6,8,12,18H2,1-3H3/b14-11+

InChI Key

QLRICECRKJGSKQ-SDNWHVSQSA-N

Formula

C17H23NO2

SMILES

CC(C)=CCCC(C)=CCOC(=O)c1ccccc1N

Molecular Weight¹

273.37

CAS

67874-69-5

Other Names

• Geranyl anthranilate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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°	40.79	kJ/mol	Joback Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	4.118		Crippen Calculated Property
McVol	235.450	ml/mol	McGowan Calculated Property
Inp	[2244.80; 2244.80]
Inp	2244.80		NIST
Inp	2244.80		NIST
Tboil	630.55	K	Relay (1.0) Calculated Property
Tfus	279.66	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 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	[320.42; 757.18]	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			-2.80170e+01
Coefficient B			1.52736e+00
Coefficient C			-9.86160e-04
Coefficient D			2.44000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	320.42	J/mol×K	273.00	Calculated Property
Cp,gas	399.71	J/mol×K	353.78	Calculated Property
Cp,gas	469.50	J/mol×K	434.56	Calculated Property
Cp,gas	530.58	J/mol×K	515.33	Calculated Property
Cp,gas	583.71	J/mol×K	596.11	Calculated Property
Cp,gas	629.67	J/mol×K	676.89	Calculated Property
Cp,gas	669.23	J/mol×K	757.67	Calculated Property
Cp,gas	703.15	J/mol×K	838.44	Calculated Property
Cp,gas	732.21	J/mol×K	919.22	Calculated Property
Cp,gas	757.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to (E)-3,7-dimethylocta-2,6-dienyl 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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