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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7103		Relay (1.0) Calculated Property
ΔfG°	170.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-339.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.21	kJ/mol	Joback Calculated Property
ΔvapH°	93.60	kJ/mol	Relay (1.0) Calculated Property
IE	7.51	eV	Relay (1.0) 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
Pc	1862.72	kPa	Joback Calculated Property
Inp	[2244.80; 2244.80]
Inp	2244.80		NIST
Inp	2244.80		NIST
Tboil	630.55	K	Relay (1.0) Calculated Property
Tc	838.69	K	Relay (1.0) Calculated Property
Tfus	282.41	K	Relay (1.0) Calculated Property
Vc	0.814	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[674.99; 755.69]	J/mol×K	[776.92; 997.01]
Cp,gas	674.99	J/mol×K	776.92	Joback Calculated Property
Cp,gas	690.71	J/mol×K	813.60	Joback Calculated Property
Cp,gas	705.43	J/mol×K	850.28	Joback Calculated Property
Cp,gas	719.21	J/mol×K	886.97	Joback Calculated Property
Cp,gas	732.14	J/mol×K	923.65	Joback Calculated Property
Cp,gas	744.28	J/mol×K	960.33	Joback Calculated Property
Cp,gas	755.69	J/mol×K	997.01	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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