Chemical Properties of Citronellyl anthranilate (CAS 68555-57-7)

InChI

InChI=1S/C17H25NO2/c1-13(2)7-6-8-14(3)11-12-20-17(19)15-9-4-5-10-16(15)18/h4-5,7,9-10,14H,6,8,11-12,18H2,1-3H3

InChI Key

LSJVFMHIFWWGDY-UHFFFAOYSA-N

Formula

C17H25NO2

SMILES

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

Molecular Weight¹

275.39

CAS

68555-57-7

Other Names

• 6-Octen-1-ol, 3,7-dimethyl-, 2-aminobenzoate
• 3,7-dimethyloct-6-enyl 2-aminobenzoate

• 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).
• P_c : Critical Pressure (kPa).
• 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°	38.37	kJ/mol	Joback Calculated Property
log10WS	-5.02		Relay (1.0) Calculated Property
logPoct/wat	4.198		Crippen Calculated Property
McVol	239.750	ml/mol	McGowan Calculated Property
Pc	1726.03	kPa	Joback Calculated Property
Inp	[2201.40; 2201.40]
Inp	2201.40		NIST
Inp	2201.40		NIST
Tboil	632.95	K	Relay (1.0) Calculated Property
Tfus	272.97	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[333.96; 788.57]	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			-1.58260e+01
Coefficient B			1.51336e+00
Coefficient C			-9.03260e-04
Coefficient D			1.94300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	333.96	J/mol×K	273.00	Calculated Property
Cp,gas	415.12	J/mol×K	353.78	Calculated Property
Cp,gas	487.19	J/mol×K	434.56	Calculated Property
Cp,gas	550.77	J/mol×K	515.33	Calculated Property
Cp,gas	606.49	J/mol×K	596.11	Calculated Property
Cp,gas	654.96	J/mol×K	676.89	Calculated Property
Cp,gas	696.78	J/mol×K	757.67	Calculated Property
Cp,gas	732.58	J/mol×K	838.44	Calculated Property
Cp,gas	762.98	J/mol×K	919.22	Calculated Property
Cp,gas	788.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Citronellyl anthranilate.

Sources

• Cheméo Relay (1.0)
• 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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