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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	96.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-278.01	kJ/mol	Joback Calculated Property
ΔfusH°	36.79	kJ/mol	Joback Calculated Property
ΔvapH°	75.82	kJ/mol	Joback Calculated Property
log10WS	-4.73		Crippen Calculated Property
logPoct/wat	4.198		Crippen Calculated Property
McVol	239.750	ml/mol	McGowan Calculated Property
Pc	1786.37	kPa	Joback Calculated Property
Inp	[2201.40; 2201.40]
Inp	2201.40		NIST
Inp	2201.40		NIST
Tboil	772.44	K	Joback Calculated Property
Tc	986.16	K	Joback Calculated Property
Tfus	441.67	K	Joback Calculated Property
Vc	0.907	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[700.93; 783.73]	J/mol×K	[772.44; 986.16]
Cp,gas	700.93	J/mol×K	772.44	Joback Calculated Property
Cp,gas	717.18	J/mol×K	808.06	Joback Calculated Property
Cp,gas	732.39	J/mol×K	843.68	Joback Calculated Property
Cp,gas	746.59	J/mol×K	879.30	Joback Calculated Property
Cp,gas	759.85	J/mol×K	914.92	Joback Calculated Property
Cp,gas	772.21	J/mol×K	950.54	Joback Calculated Property
Cp,gas	783.73	J/mol×K	986.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Citronellyl anthranilate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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